SCHEMBL4312474

SCHEMBL4312474

O=C(O)N1CCC(N(Cc2ccc(C(F)(F)F)cc2)c2cccc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.43
DCUN1D1 Q96GG9 4/20 0.42
UBE2M P61081 3/20 0.42
CYP3A4 P08684 2/20 0.42
CCR5 P51681 3/20 0.42
ACHE P22303 1/20 0.41
TEAD1 P28347 1/20 0.40
HPGDS O60760 1/20 0.40
OPRM1 P35372 3/20 0.39
AR P10275 1/20 0.39
ATM Q13315 1/20 0.39
CETP P11597 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
SCHEMBL5969497 0.91 MEN1 (0.47) MEN1KMT2AKCNH2DCUN1D1UBE2M
SCHEMBL5969537 0.90 CCR5 (0.49) KCNH2DCUN1D1UBE2MCYP3A4CCR5
SCHEMBL5969908 0.88 CCR5 (0.43) KCNH2DCUN1D1UBE2MCYP3A4CCR5
SCHEMBL5969511 0.88 CETP (0.45) MEN1KMT2AKCNH2DCUN1D1UBE2M
SCHEMBL5969556 0.88 MEN1 (0.47) MEN1KMT2AKCNH2CCR5ACHE
SCHEMBL5969415 0.88 CYP3A4 (0.46) MEN1KMT2AKCNH2DCUN1D1UBE2M
SCHEMBL4307525 0.88 CYP3A4 (0.46) MEN1KMT2AKCNH2DCUN1D1UBE2M
SCHEMBL4302437 0.87 TGFBR1 (0.50) MEN1KMT2A
SCHEMBL5969945 0.86 MEN1 (0.44) MEN1KMT2ACCR5ACHEOPRM1
SCHEMBL5969599 0.84 TACR1 (0.42) MEN1KMT2AKCNH2DCUN1D1UBE2M

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
US-7488741-B2 4-Aminopiperidine derivatives, processes for their preparation and their use as medicaments UCB PHARMA, S.A. (BE) 2009-02-10 US claimed
EP-1556045-B1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB SA (BE) 2006-08-02 EP claimed