SCHEMBL1096485

SCHEMBL1096485

CC(C)(C)[C@@](C)(OC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
CCR5 P51681 5/20 0.39
TACR1 P25103 5/20 0.38
RORC P51449 4/20 0.38
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL1096486 0.82 CCR5 (0.38) KDM1ACCR5TACR1RORC
SCHEMBL3570514 0.78 KDM1A (0.53) KDM1ACCR5TACR1RORCRIPK1
SCHEMBL1095794 0.77 CASR (0.45) KDM1A
SCHEMBL1096488 0.72 CCR5 (0.39) KDM1ACCR5TACR1RORC
SCHEMBL1094966 0.71 KDM1A (0.54) KDM1ACCR5TACR1RORCRIPK1
SCHEMBL1105747 0.71 KDM1A (0.54) KDM1ACCR5TACR1RORCRIPK1
SCHEMBL4076516 0.71 CCR5 (0.41) KDM1ACCR5RORC
SCHEMBL1096982 0.70 CASR (0.41)
SCHEMBL1095736 0.70 CASR (0.45) KDM1A
Hydrochloric Acid SCHEMBL1096824 0.69 CASR (0.45) KDM1A

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed