SCHEMBL6950046

SCHEMBL6950046

CCOC(C(=O)NC1CCN(Cc2ccccc2)CC1)(c1ccccc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.58
▸ CHRM1 P11229 4/20 0.58
▸ CHRM3 P20309 4/20 0.58
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ SIGMAR1 Q99720 5/20 0.54
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ DRD4 P21917 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6953811 0.90 CHRM2 (0.54) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL6942774 0.84 SIGMAR1 (0.58) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL6952267 0.82 CHRM2 (0.65) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL13003260 0.80 SIGMAR1 (0.68) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3996386 0.78 CHRM2 (0.63) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL17294676 0.78 CHRM3 (0.72) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3996281 0.76 CHRM2 (0.66) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL27701873 0.76 CHRM2 (0.57) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3997077 0.76 SIGMAR1 (0.61) CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL10361893 0.76 SIGMAR1 (0.65) KMT2ASIGMAR1CYP2D6CYP2C9DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11193271-A — — None — — JP disclosed
EP-0913393-B1 Arylacetic amide derivative or salt thereof, and pharmaceutical comprising it SSP CO LTD (JP) 2003-02-12 — — EP disclosed
US-6060485-A UROGENITAL DISORDERS SSP CO., LTD. (JP) 2000-05-09 — — US disclosed
JP-H11193271-A ARYLACETAMIDE DERIVATIVE OR ITS SALT AND MEDICINE CONTAINING THE SAME SS PHARMACEUT CO LTD 1999-07-21 — — JP disclosed
EP-0913393-A2 Arylacetic amide derivative or salt thereof, and pharmaceutical comprising it SSP Co., Ltd. (JP) 1999-05-06 — — EP disclosed
Send feedback