SCHEMBL7964899

SCHEMBL7964899

Cc1ccc(OCCCN2CCC(O)(c3cnc4ccccc4c3)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
DRD2 P14416 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL7953304 0.85 OPRL1 (0.38) ALDH1A1KDM4EHTR1AMAPTL3MBTL1
SCHEMBL7953297 0.85 LMNA (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7953292 0.84 MAPT (0.41) ALDH1A1KDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL7964658 0.83 MEN1 (0.48) ALDH1A1DRD2HTR1AHTR2AHTR7
SCHEMBL7965519 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EDRD2HTR1AHTR2A
SCHEMBL7963819 0.83 MAOA (0.46) DRD2HTR1AHTR2AHTR7MAPT
SCHEMBL7962754 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EDRD2HTR1AHTR2A
SCHEMBL7966346 0.82 CYP2D6 (0.49) ALDH1A1KDM4EHTR2AHTR7MEN1
Oxalic Acid SCHEMBL7966526 0.79 KDM4E (0.54) ALDH1A1KDM4EDRD2HTR1AHTR2A
Oxalic Acid SCHEMBL7965012 0.79 KDM4E (0.46) ALDH1A1KDM4EDRD2HTR1AHTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed