SCHEMBL11101376

SCHEMBL11101376

O=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.52
CALCRL Q16602 8/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM1 P11229 1/20 0.48
GAA P10253 1/20 0.47
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
MTR Q99707 1/20 0.47
RAMP1 O60894 2/20 0.46
CTSS P25774 5/20 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
SCHEMBL11108153 0.91 CTSS (0.51) CHRM4CALCRLCHRM1RAMP1CTSS
SCHEMBL11103893 0.89 CTSS (0.51) CHRM4CALCRLCHRM1RAMP1CTSS
SCHEMBL11099726 0.89 SCN1A (0.55) CHRM4CALCRLCHRM1SCN1ASCN5A
SCHEMBL11105185 0.87 CTSS (0.57) CHRM4CALCRLCHRM1RAMP1CTSS
SCHEMBL11099237 0.84 CTSS (0.43) CHRM4CALCRLCHRM1RAMP1CTSS
SCHEMBL11102366 0.84 SCN1A (0.50) CHRM4CALCRLCHRM1SCN1ASCN5A
SCHEMBL11105849 0.84 SCN1A (0.48) CHRM4CALCRLCHRM1SCN1ASCN5A
SCHEMBL27752167 0.81 CHRM4 (0.57) CHRM4CALCRLCHRM1RAMP1
SCHEMBL9046543 0.80 CHRM4 (0.70) CHRM4CALCRLRAMP1CTSS
SCHEMBL14098799 0.79 CHRM4 (0.56) CHRM4CALCRLCHRM1CTSS

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-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
US-4344948-A HYPOTENSIVE AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-08-17 US disclosed
EP-0029707-A1 Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-06-03 EP disclosed