SCHEMBL20095585

SCHEMBL20095585

FC1CCN(C2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.41
SLC18A3 Q16572 1/20 0.39
ABCB1 P08183 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL27376990 0.97 DPP4 (0.38) DPP4SLC18A3ABCB1SIGMAR1HRH3
SCHEMBL17660856 0.91 HRH3 (0.45) DPP4SLC18A3ABCB1HRH3PHGDH
SCHEMBL21370058 0.84 DPP4 (0.35) DPP4SLC18A3ABCB1SIGMAR1HRH3
SCHEMBL17665810 0.84 SLC18A3 (0.47) SLC18A3ABCB1HRH3PHGDHMGLL
SCHEMBL1828751 0.81 SLC18A3 (0.43) SLC18A3ABCB1HRH3PHGDHMGLL
SCHEMBL26514335 0.80 HRH3 (0.44) ABCB1HRH3
SCHEMBL1306880 0.78 DPP4 (0.47) DPP4SLC18A3SIGMAR1PHGDHMGLL
SCHEMBL25189721 0.76 KDM1A (0.36) DPP4
SCHEMBL15217755 0.76 ALDH1A1 (0.46) HRH3
SCHEMBL15190810 0.76 KDM1A (0.36) DPP4

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed