SCHEMBL8527486

SCHEMBL8527486

CCSc1ccc2[nH]ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 8/20 0.41
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
AHR P35869 1/20 0.35
NR4A2 P43354 1/20 0.35
P2RX7 Q99572 9/20 0.35

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
SCHEMBL8529832 0.80 RHEB (0.41) RHEBP2RX7
SCHEMBL8527598 0.76 P2RX7 (0.39) RHEBF7LTA4HF3AHR
SCHEMBL2116708 0.75 RHEB (0.51) RHEBAHR
SCHEMBL8528724 0.73 P2RX7 (0.40) RHEBP2RX7
SCHEMBL8526249 0.70 P2RX7 (0.35) RHEBP2RX7
SCHEMBL8529419 0.70 AXL (0.48) RHEBF7LTA4HF3AHR
SCHEMBL15704604 0.69 TSHR (0.43) RHEBP2RX7
SCHEMBL31416308 0.69 RHEB (0.50) RHEBF7LTA4HF3AHR
SCHEMBL830446 0.69 RHEB (0.50) RHEBF7LTA4HF3AHR
SCHEMBL827421 0.68 CTRC (0.39) RHEBP2RX7

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