SCHEMBL8470404

SCHEMBL8470404

CCN(CC)CC#CCNC(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.69
CHRM1 P11229 5/20 0.69
CHRM3 P20309 5/20 0.69
CYP2C19 P33261 2/20 0.69
CHRM4 P08173 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
PKM P14618 1/20 0.69
NFKB1 P19838 1/20 0.69
THPO P40225 1/20 0.69
KCNH2 Q12809 1/20 0.69
ABCB11 O95342 1/20 0.69
ESR1 P03372 1/20 0.69
CHRM5 P08912 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
TBXA2R P21731 1/20 0.69
SLC6A2 P23975 1/20 0.69

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
Hydrochloric Acid SCHEMBL9474056 0.99 MEN1 (0.70) CHRM2CHRM1CHRM3CYP2C19CHRM4
SCHEMBL9474151 0.92 CHRM2 (0.60) CHRM2CHRM1CHRM3CYP2C19CHRM4
Hydrochloric Acid SCHEMBL9473273 0.92 MEN1 (0.61) CHRM2CHRM1CHRM3CYP2C19CHRM4
SCHEMBL9473295 0.91 CHRM2 (0.56) CHRM2CHRM1CHRM3CYP2C19CHRM4
SCHEMBL9473159 0.91 CHRM2 (0.56) CHRM2CHRM1CHRM3CYP2C19CHRM4
SCHEMBL9473688 0.90 CHRM3 (0.56) CHRM2CHRM1CHRM3CYP2C19CHRM4
Hydrochloric Acid SCHEMBL9473466 0.89 MEN1 (0.57) CHRM2CHRM1CHRM3CYP2C19CHRM4
Hydrochloric Acid SCHEMBL9473738 0.89 MEN1 (0.57) CHRM2CHRM1CHRM3CYP2C19CHRM4
SCHEMBL9472604 0.89 ALDH1A1 (0.55) CHRM2CHRM1CHRM3CYP2C19CHRM4
Hydrochloric Acid SCHEMBL9473445 0.89 MEN1 (0.57) CHRM2CHRM1CHRM3CYP2C19CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915826-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA INC (US) 1999-12-29 EP disclosed
EP-0915826-A1 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF Bridge Pharma, Inc. (US) 1999-05-19 EP disclosed
WO-1998000390-A1 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA, INC. (US) 1998-01-08 WO disclosed
US-5192779-A Substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-09 US disclosed
US-5066680-A NOVEL SUBSTITUTED-ACETAMIDE COMPOUND AND A PROCESS FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 US disclosed
EP-0383256-A2 A novel substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-22 EP disclosed