SCHEMBL1096492

SCHEMBL1096492

CC(C)(C)C[C@H](c1cccc2ccccc12)N(CC1CNCCC1c1ccccc1F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.33
SLC6A4 P31645 8/20 0.32
SLC6A2 P23975 7/20 0.32
REN P00797 2/20 0.32
SLC6A3 Q01959 4/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
MBTPS1 Q14703 1/20 0.30

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
SCHEMBL3576277 0.88 SSTR4 (0.38) SSTR4SLC6A4SLC6A2RENSLC6A3
SCHEMBL1095976 0.87 CCR5 (0.39)
SCHEMBL1097414 0.82 CCR5 (0.37) SSTR4
SCHEMBL1096491 0.82 REN (0.36) SSTR4SLC6A4SLC6A2RENSLC6A3
SCHEMBL1096039 0.82 DPP4 (0.34)
SCHEMBL3570472 0.81 SSTR4 (0.38) SSTR4SLC6A4SLC6A2SLC6A3
SCHEMBL4067653 0.76 SSTR4 (0.41) SSTR4SLC6A4SLC6A2SLC6A3
SCHEMBL1095954 0.75 SSTR4 (0.35) SSTR4SLC6A4SLC6A2RENSLC6A3
SCHEMBL3576110 0.74 CCR5 (0.38) SSTR4SLC6A2SLC6A3
SCHEMBL1094614 0.71 ESR1 (0.33)

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