SCHEMBL9253261

SCHEMBL9253261

Clc1ccc(C(=C2CC[N]CC2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
PTAFR P25105 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5200726 0.79 OPRD1 (0.42) OPRM1OPRD1CES2CES1CA1
SCHEMBL9038594 0.78 HTR2A (0.53) OPRM1OPRD1OPRK1CES2CES1
SCHEMBL10460871 0.75 OPRD1 (0.65) OPRM1OPRD1OPRK1CES2CES1
Bromide SCHEMBL10461679 0.72 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL9249498 0.71 ALDH1A1 (0.40) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL8314573 0.69 OPRD1 (0.58) OPRM1OPRD1OPRK1CES2CES1
SCHEMBL2297101 0.63 MGLL (0.58) MEN1KMT2AL3MBTL1LMNA
SCHEMBL2090365 0.62 AKR1C3 (0.43) GSK3B
SCHEMBL9256562 0.61 SMN1; SMN2 (0.40) TSHRCYP3A4L3MBTL1HTTRAB9A
SCHEMBL401165 0.61 CES2 (0.46) MEN1KMT2ACES2CES1TSHR

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed