SCHEMBL7414634

SCHEMBL7414634

Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.77
HTR2A P28223 4/20 0.77
MAPT P10636 2/20 0.77
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
HTR2B P41595 2/20 0.77
KDM4E B2RXH2 1/20 0.77
MEN1 O00255 1/20 0.77
TP53 P04637 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
PKM P14618 1/20 0.77
MAPK1 P28482 1/20 0.77
CHRNA7 P36544 1/20 0.77
THPO P40225 1/20 0.77
KMT2A Q03164 1/20 0.77
HIF1A Q16665 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
BLM P54132 1/20 0.76

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
SCHEMBL29369443 0.87 HTR2C (1.00) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL29462346 0.87 HTR2C (1.00) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL1459242 0.87 HTR2C (1.00) HTR2CHTR2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL10321748 0.86 MAPT (1.00) HTR2CHTR2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL23242556 0.86 NPC1 (1.00) HTR2CHTR2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL29893649 0.86 NPC1 (1.00) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL7423464 0.83 HTR2C (0.72) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL7419887 0.82 HTR2C (0.70) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL7418159 0.82 HTR2C (0.70) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL9051246 0.82 HTR2C (0.70) HTR2CHTR2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO claimed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed