SCHEMBL6945434

SCHEMBL6945434

CCOC(C(=O)NC1CC[N+]([O-])(Cc2ccccc2)CC1)(c1ccccc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.38
▸ CHRM2 P08172 5/20 0.37
▸ CHRM1 P11229 5/20 0.37
▸ CHRM3 P20309 5/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ YAP1 P46937 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33

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
SCHEMBL6950046 0.81 CHRM2 (0.58) CHRM2CHRM1CHRM3SMN1; SMN2ALDH1A1
SCHEMBL6953811 0.71 CHRM2 (0.54) CHRM2CHRM1CHRM3SMN1; SMN2ALDH1A1
SCHEMBL6946455 0.70 SSTR1 (0.47) CCR1CHRM2CHRM1CHRM3CYP3A4
SCHEMBL6953239 0.68 CYP1A2 (0.47) CHRM3SMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL6942774 0.66 SIGMAR1 (0.58) CHRM2CHRM1CHRM3SMN1; SMN2ALDH1A1
SCHEMBL3362178 0.64 DRD4 (0.69) CYP3A4CYP2D6CYP2C9
SCHEMBL8914673 0.63 MEN1 (0.41) RAB9AALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6952267 0.62 CHRM2 (0.65) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL16021550 0.61 CCR1 (0.45) CCR1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL25464159 0.61 HDAC1 (0.49) CCR1CHRM2CHRM1CHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0913393-A2 Arylacetic amide derivative or salt thereof, and pharmaceutical comprising it SSP Co., Ltd. (JP) 1999-05-06 — — EP disclosed
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