SCHEMBL9702341

SCHEMBL9702341

CC1CNCCN1c1cc(-c2ccccn2)nnc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.44
GSK3B P49841 4/20 0.41
HTR7 P34969 2/20 0.40
HTR2C P28335 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
HTR1A P08908 1/20 0.38
METAP1 P53582 2/20 0.37
SMO Q99835 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Dipyridyl SCHEMBL9720335 0.74 HTR7 (0.46) GSK3BHTR7HTR2CHTR2AHTR2B
SCHEMBL20129603 0.73 PLD1 (0.54) HTR2CHTR2AHTR2BALDH1A1HPGD
SCHEMBL30531432 0.73 PLD1 (0.54) HTR2CHTR2AHTR2BALDH1A1HPGD
SCHEMBL20129613 0.73 PLD1 (0.54) HTR2CHTR2AHTR2BALDH1A1HPGD
SCHEMBL20141500 0.73 PLD1 (0.54) HTR2CHTR2AHTR2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL20141813 0.72 PLD1 (0.53) HTR2CHTR2AHTR2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL20141815 0.72 PLD1 (0.53) HTR2CHTR2AHTR2BALDH1A1HPGD
SCHEMBL1851412 0.71 HTR2C (0.48) LATS1GSK3BHTR2CHTR2AHTR2B
SCHEMBL5797267 0.69 HTR2C (0.48) LATS1GSK3BHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL16235859 0.68 KDM4E (0.50) LATS1GSK3BHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 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