SCHEMBL9256103

SCHEMBL9256103

Cc1ccc(C(c2ccc(C)cc2)C2CC[N]CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
MGLL Q99685 1/20 0.32
ACHE P22303 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
OPRD1 P41143 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
ALOX5 P09917 1/20 0.31
EEF2K O00418 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 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
SCHEMBL9668878 0.93 OPRD1 (0.40) CHRNA7MGLLOPRD1OPRM1OPRK1
SCHEMBL9257480 0.80 SLC6A3 (0.34) CHRM2CHRM1
SCHEMBL9253640 0.80 SLC6A4 (0.40) MGLLTDP1CYP19A1CHRM1
SCHEMBL4674804 0.79 IDO1 (0.39) MGLLCYP19A1OPRD1
SCHEMBL13902766 0.76 ACHE (0.52) MGLLACHETDP1MEN1KMT2A
SCHEMBL10459101 0.76 SLC6A2 (0.49) MEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL10459138 0.74 SLC6A2 (0.50) MEN1KMT2AOPRD1
SCHEMBL9253506 0.74 IDO1 (0.41) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL9253016 0.74 MRGPRX1 (0.40)
SCHEMBL9251016 0.74 ALDH1A1 (0.44) MGLLMEN1KMT2AOPRD1OPRM1

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