SCHEMBL7843395

SCHEMBL7843395

N#Cc1ccc(Cc2ncc(CCN)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
BRS3 P32247 2/20 0.46
HRH1 P35367 2/20 0.44
HTR1B P28222 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
TYMP P19971 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
DAO P14920 2/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
NSD2 O96028 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
SCHEMBL6961393 0.90 HRH3 (0.43) HRH3BRS3HRH1HTR1BHRH4
SCHEMBL7505077 0.90 LOXL2 (0.49) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL7571253 0.85 HRH3 (0.47) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL7468902 0.84 HRH3 (0.48) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL7129739 0.84 BRS3 (0.52) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL8498703 0.84 BRS3 (0.49) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL10588302 0.84 BRS3 (0.49) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL8121737 0.83 BRS3 (0.49) HRH3BRS3LOXL2TYMPGRIN1
Hydrochloric Acid SCHEMBL6949148 0.82 HRH3 (0.47) HRH3BRS3LOXL2TYMPGRIN1
SCHEMBL7743907 0.82 DAO (0.47) HRH1HTR1BHRH4DAONSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed