SCHEMBL8138592

SCHEMBL8138592

O=C(Nc1ccc(OCc2cnccn2)nc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.48
HTR2B P41595 6/20 0.48
HTR2A P28223 4/20 0.48
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
FAAH O00519 6/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAD51 Q06609 1/20 0.43
ROCK2 O75116 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL7539295 0.88 HTR2C (0.57) HTR2CHTR2BHTR2ACXCR1CXCR2
SCHEMBL14659637 0.78 FAAH (0.50) CXCR1CXCR2FAAHALDH1A1MAPT
SCHEMBL590618 0.76 KMT2A (0.61) ALDH1A1MAPT
SCHEMBL14659164 0.76 ALDH1A1 (0.51) CXCR1CXCR2FAAHALDH1A1MAPT
SCHEMBL14659919 0.74 ALDH1A1 (0.54) FAAHALDH1A1MAPTRAD51
SCHEMBL241619 0.73 NPC1 (0.63) ALDH1A1MAPTRAD51NOTUM
SCHEMBL30588272 0.73 FAAH (0.50) CXCR1CXCR2FAAHALDH1A1MAPT
SCHEMBL7078078 0.72 PORCN (0.56) ALDH1A1MAPTRAD51ROCK2NOTUM
SCHEMBL841457 0.72 MAPT (0.56) HTR2CHTR2BHTR2AALDH1A1MAPT
SCHEMBL7337933 0.72 TSHR (0.50) ALDH1A1MAPTNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984956-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-03-15 EP disclosed
WO-1998052943-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-11-26 WO disclosed