SCHEMBL7317633

SCHEMBL7317633

CCCCCN1CCC(CCOc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 3/20 0.56
KDM4E B2RXH2 1/20 0.56

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 SCHEMBL7322070 0.99 HRH3 (0.60) HRH3MEN1KMT2AMAOBKDM4E
SCHEMBL7321415 0.89 HRH3 (0.54) HRH3MEN1KMT2AMAOB
SCHEMBL7324710 0.87 HRH3 (0.51) HRH3MAOBKDM4E
SCHEMBL7321964 0.86 HRH3 (0.64) HRH3
Hydrochloric Acid SCHEMBL9532080 0.86 MAPK1 (0.52) HRH3MAOBKDM4E
SCHEMBL7317615 0.86 ALDH1A1 (0.59) HRH3MEN1KMT2A
SCHEMBL7322566 0.86 TMEM97 (0.61) HRH3
SCHEMBL24429268 0.85 HRH3 (0.53) HRH3MEN1KMT2AMAOB
Hydrochloric Acid SCHEMBL27431543 0.85 SIGMAR1 (0.64) HRH3
Hydrochloric Acid SCHEMBL9528327 0.85 USP2 (0.58) HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542846-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed
WO-1992002502-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO claimed