SCHEMBL11102413

SCHEMBL11102413

CC(C)(C)OC(=O)N1CCC(N2Cc3ccccc3N/C2=N/C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
CALCRL Q16602 6/20 0.44
RAMP1 O60894 3/20 0.44
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCD Q05655 1/20 0.40
TP53 P04637 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL11102417 1.00 MAPK1 (0.48) MAPK1CALCRLRAMP1NAMPTGPR119
SCHEMBL2604336 0.84 CALCRL (0.58) MAPK1CALCRLRAMP1NAMPTCHRM4
SCHEMBL14498121 0.78 HTR2C (0.41) CALCRL
SCHEMBL14410233 0.77 PARP1 (0.40) CALCRLRAMP1
Hydrochloric Acid SCHEMBL11097882 0.77 HTR2C (0.40) CALCRL
Hydrochloric Acid SCHEMBL11160630 0.77 HTR2C (0.40) CALCRL
SCHEMBL1820339 0.77 CALCRL (0.50) MAPK1CALCRLRAMP1NAMPTGPR119
SCHEMBL5369548 0.76 BRD4 (0.33) CALCRL
SCHEMBL12372577 0.75 MAPK1 (0.47) MAPK1CALCRLRAMP1NAMPTGPR119
SCHEMBL12511957 0.73 NAMPT (0.53) MAPK1NAMPTGPR119PRKCGPRKCB

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-4410528-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-10-18 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