SCHEMBL9451691

SCHEMBL9451691

CC(=O)N1CCC(N(C)Cc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HRH1 P35367 1/20 0.47
RORC P51449 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
TACR1 P25103 1/20 0.44
OPRM1 P35372 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL7280301 0.86 LTA4H (0.63) LTA4HRORCKDM4EOPRM1
SCHEMBL25389253 0.82 GPR119 (0.59)
SCHEMBL18412166 0.81 KDM4E (0.57) LTA4HCYP2D6CHRM1HRH1HRH3
SCHEMBL13452623 0.80 HRH3 (0.59) LTA4HCYP2D6CHRM1HRH1HRH3
SCHEMBL9451538 0.80 MAPT (0.48) CYP2D6CHRM1HRH1KDM4EGAA
SCHEMBL6538883 0.78 NR1H4 (0.52) OPRM1TMEM97
SCHEMBL14559864 0.78 MEN1 (0.56) KDM4EMAPTOPRM1
SCHEMBL26618018 0.78 KMT2A (0.55) LTA4HRORCTACR1OPRM1
SCHEMBL9451676 0.77 USP2 (0.52) LTA4HCYP2D6CHRM1HRH1KDM4E
SCHEMBL6538705 0.76 CCR5 (0.57)

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-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed