SCHEMBL9073239

SCHEMBL9073239

c1ccc(-c2nnc(N3CCNCC3)nc2-c2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PLD1 Q13393 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HPGD P15428 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ BPTF Q12830 1/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ GAS6 Q14393 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9069333 0.79 HTR7 (0.59) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL5800530 0.77 EPHX2 (0.50) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL30422841 0.73 KDM4E (0.53) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL3094143 0.72 HTR7 (0.62) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL2714133 0.72 SMO (0.58) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL9690192 0.72 HTR7 (0.65) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL31106280 0.71 HTR7 (0.57) HTR7PLD1HTR1AHTR2CHTR2A
SCHEMBL10974393 0.71 KMT2A (0.60) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL2761188 0.71 PLD1 (0.61) HTR7ALDH1A1KDM4EPLD1HTR1A
SCHEMBL3094152 0.70 HTR7 (0.72) HTR7PLD1HTR1AHTR2CHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP claimed
US-5268477-A Containing a pyrrolidine or pyridine ring structure THE UPJOHN COMPANY (US) 1993-12-07 — — US claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO claimed
US-5506354-A ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS THE UPJOHN COMPANY (US) 1996-04-09 — — US disclosed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP disclosed
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 — — US disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 — — US disclosed
US-5380841-A Steroids as antiinflammatory agents THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 — — EP disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 — — US disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 — — EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 — — EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 — — WO disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO disclosed
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