SCHEMBL6442255

SCHEMBL6442255

Cc1ccc(C2CN(C(=O)c3cc(F)cc(F)c3)CCC2N2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PROKR1 Q8TCW9 7/20 0.37
SLC18A3 Q16572 4/20 0.37
KDM1A O60341 3/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6439613 0.89 RHOA (0.42) PROKR1MEN1KMT2A
SCHEMBL6442326 0.84 TACR1 (0.44) HSD11B1SLC18A3NPC1RAB9A
SCHEMBL6442330 0.84 TACR1 (0.44) HSD11B1SLC18A3NPC1RAB9A
SCHEMBL5802899 0.80 RHOA (0.54) PROKR1MEN1KMT2A
SCHEMBL5802902 0.80 RHOA (0.54) PROKR1MEN1KMT2A
SCHEMBL5803870 0.79 HIF1A (0.47) PROKR1
SCHEMBL6442171 0.79 KDM1A (0.46) SLC18A3KDM1ANPC1RAB9A
SCHEMBL5918091 0.79 TACR1 (0.43) PROKR1
SCHEMBL6442173 0.79 KDM1A (0.46) SLC18A3KDM1ANPC1RAB9A
SCHEMBL5800732 0.79 TACR1 (0.49) KDM1AMEN1KMT2A

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
EP-1360184-B1 PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed