SCHEMBL9035888

SCHEMBL9035888

O=C(Nc1cccnc1)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 1.00
HTR2A P28223 15/20 0.73
NPC1 O15118 1/20 0.72
TP53 P04637 1/20 0.72
PKM P14618 1/20 0.72
NFKB1 P19838 1/20 0.72
RAB9A P51151 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72

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
SCHEMBL5751582 0.86 HTR2C (0.77) HTR2CHTR2ANPC1TP53PKM
Hydrochloric Acid SCHEMBL6088350 0.85 HTR2C (0.75) HTR2CHTR2ANPC1TP53PKM
SCHEMBL6582480 0.85 HTR2C (0.78) HTR2CHTR2A
SCHEMBL8526803 0.85 HTR2C (1.00) HTR2CHTR2A
SCHEMBL382910 0.84 NPC1 (1.00) HTR2CNPC1TP53PKMNFKB1
SCHEMBL8526274 0.84 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8529483 0.84 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8527508 0.84 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8526818 0.84 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8529814 0.83 HTR2C (1.00) HTR2CHTR2A

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
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP claimed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO claimed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO disclosed