SCHEMBL8527140

SCHEMBL8527140

CC(C)Sc1cc2c(cc1Cl)NCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GFER P55789 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3238397 0.81 DRD2 (0.42) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL8529844 0.77 DRD2 (0.39) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL8526783 0.75 DRD2 (0.42) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL8529795 0.74 DRD2 (0.52) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL4138556 0.72 DRD2 (0.46) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL8529136 0.71 DRD2 (0.42) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL3238417 0.70 DRD2 (0.49) DRD2DRD4GFERALDH1A1MAPT
SCHEMBL8528334 0.69 DRD2 (0.40) DRD2DRD4GFERNOTUMALDH1A1
SCHEMBL23384782 0.68 ALDH1A1 (0.53) DRD2DRD4NOTUMALDH1A1MAPT
SCHEMBL8526795 0.68 DRD2 (0.46) DRD2DRD4GFERNOTUMALDH1A1

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
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