SCHEMBL3937178

SCHEMBL3937178

O=C(CC=Cc1ccccc1Cl)CN1CCN(CCCCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.46
KEAP1 Q14145 3/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
F2R P25116 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.38
KCNA5 P22460 1/20 0.38
ATM Q13315 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL3937145 0.87 L3MBTL1 (0.41) NFE2L2KEAP1CYP3A4CYP2C19MEN1
SCHEMBL3934665 0.85 KMT2A (0.47) CYP3A4CYP2C19MAPTALDH1A1KMT2A
SCHEMBL3939893 0.79 ALDH1A1 (0.44) MAPTMEN1ALDH1A1KMT2AF2R
SCHEMBL3934180 0.79 TDP1 (0.38) CYP3A4CYP2C19DRD2ALDH1A1KMT2A
SCHEMBL1399075 0.78 MAPT (0.56) NFE2L2KEAP1CYP3A4CYP2C19DRD2
SCHEMBL1399078 0.78 MAPT (0.56) NFE2L2KEAP1CYP3A4CYP2C19DRD2
SCHEMBL27524301 0.76 HDAC1 (0.51) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30443677 0.68 PAM (0.58) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL15540625 0.68 PAM (0.58) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL15540628 0.68 PAM (0.58) MAPTMEN1ALDH1A1KMT2APOLB

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-2046748-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-15 EP claimed
WO-2007147822-A1 PHENYLPENTADIENOYL DERIVATIVES AND THEIR USE AS PAR 1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO claimed