SCHEMBL8803151

SCHEMBL8803151

O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.67
HTR2A P28223 10/20 0.67
MAPT P10636 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
CHRNA7 P36544 1/20 0.64
THPO P40225 1/20 0.64
HTR2B P41595 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
BLM P54132 1/20 0.63

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
SCHEMBL8804724 0.96 HTR2C (0.67) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL9049659 0.87 HTR2C (0.48) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL5751582 0.86 HTR2C (0.77) HTR2CHTR2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6088350 0.85 HTR2C (0.75) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL9051043 0.84 HTR2A (0.48) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL6582480 0.82 HTR2C (0.78) HTR2CHTR2A
SCHEMBL8529814 0.80 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL8803960 0.80 HTR2C (0.68) HTR2CHTR2A
SCHEMBL8801862 0.80 HTR2C (0.66) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL7423705 0.79 HTR2C (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP claimed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO claimed
EP-0757687-A1 TRICYCLIC DERIVATIVES AS 5HT 2C? AND 5HT 2B? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-12 EP disclosed
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP disclosed
WO-1995029177-A1 TRICYCLIC DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-02 WO disclosed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO disclosed