SCHEMBL8526751

SCHEMBL8526751

O=C(Nc1cccnc1)N1CCc2cc(C(F)(F)F)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 1.00
HTR2A P28223 15/20 1.00
CYP1A2 P05177 2/20 0.67
HTR2B P41595 3/20 0.66
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL6582480 0.84 HTR2C (0.78) HTR2CHTR2A
SCHEMBL8527508 0.83 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL8529483 0.83 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8526274 0.83 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8526803 0.81 HTR2C (1.00) HTR2CHTR2A
SCHEMBL9035888 0.81 HTR2C (1.00) HTR2CHTR2A
SCHEMBL5751582 0.81 HTR2C (0.77) HTR2CHTR2ACYP1A2HTR2BMEN1
SCHEMBL8529839 0.80 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8527704 0.80 HTR2C (1.00) HTR2CHTR2ACYP1A2HTR2BMEN1
SCHEMBL8529224 0.80 HTR2C (1.00) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US claimed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP claimed
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
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
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