SCHEMBL10570042

SCHEMBL10570042

CN(CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.53
▸ KCNH2 Q12809 3/20 0.50
▸ CYP2J2 P51589 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CACNA1F O60840 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL9786858 0.80 CYP2J2 (0.58) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL9556022 0.80 CARM1 (0.48) MEN1GAAHTR2AKMT2A
SCHEMBL9874355 0.79 CYP2J2 (0.61) HRH1KCNH2CYP2J2LMNACYP3A4
SCHEMBL9872538 0.78 CYP2J2 (0.58) HRH1KCNH2CYP2J2LMNACYP3A4
SCHEMBL17023764 0.78 HRH1 (0.77) HRH1KCNH2CYP2J2
SCHEMBL9873292 0.78 CYP2J2 (0.52) HRH1KCNH2CYP2J2LMNACYP3A4
SCHEMBL9873332 0.78 CYP2J2 (0.57) HRH1KCNH2CYP2J2LMNACYP3A4
SCHEMBL9786852 0.76 CYP19A1 (0.50) HRH1KCNH2CYP2J2
SCHEMBL7442047 0.75 KCNH2 (0.69) HRH1KCNH2
SCHEMBL18609333 0.75 HRH1 (0.78) HRH1KCNH2CYP2J2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853387-A Piperidine derivatives, and their application in therapy SYNTHELABO (FR) 1989-08-01 — — US disclosed
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