SCHEMBL22201131

SCHEMBL22201131

O=C1CC[C@@H](c2ccccc2)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM3 P20309 2/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
HCRTR2 O43614 14/20 0.54
HCRTR1 O43613 12/20 0.54
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46

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
SCHEMBL22190389 1.00 CHRM2 (0.56) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL1909819 0.91 HCRTR2 (0.62) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL16796874 0.86 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL25017953 0.81 CHRM2 (0.57) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL11477337 0.81 CHRM2 (0.57) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL2118646 0.80 CHRM2 (0.45) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL24508712 0.79 CHRM2 (0.55) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL23513155 0.78 CYP3A4 (0.50) HCRTR2HCRTR1TP53MDM2TSHR
SCHEMBL7407552 0.78 HCRTR2 (0.50) HCRTR2HCRTR1TP53MDM2EHMT2
SCHEMBL2265479 0.78 HCRTR2 (0.50) HCRTR2HCRTR1TP53MDM2EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed