SCHEMBL8335192

SCHEMBL8335192

CC#CCN(CC)CCCO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL7152117 0.87 CYP1A2 (0.41) KCNH2CHRM2CHRM4CHRM5CHRM1
SCHEMBL936173 0.77
SCHEMBL19206141 0.77
SCHEMBL9242 0.77
SCHEMBL465303 0.77 HSD17B10 (0.44) KCNH2CHRM2CHRM1
SCHEMBL1404003 0.75 ALDH1A1 (0.43) KCNH2CHRM2CHRM1
SCHEMBL7704607 0.75 MAPT (0.35)
SCHEMBL27813443 0.74 PAOX (0.41) KCNH2CHRM2CHRM1
Hydrochloric Acid SCHEMBL29203168 0.74 PAOX (0.41) KCNH2CHRM2CHRM1
SCHEMBL27813421 0.74 PAOX (0.41) KCNH2CHRM2CHRM1

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-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