SCHEMBL10997906

SCHEMBL10997906

CC1CN(C2CCCC2)CC1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
DPP4 P27487 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
SLC18A3 Q16572 1/20 0.30
GAA P10253 1/20 0.30
HTR6 P50406 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
SCHEMBL21120719 0.85 DPP4 (0.40) SIGMAR1DPP4OPRM1OPRL1SLC18A3
SCHEMBL19799041 0.85 DPP4 (0.40) SIGMAR1DPP4OPRM1OPRL1SLC18A3
SCHEMBL19799055 0.85 DPP4 (0.40) SIGMAR1DPP4OPRM1OPRL1SLC18A3
SCHEMBL19799049 0.85 DPP4 (0.40) SIGMAR1DPP4OPRM1OPRL1SLC18A3
SCHEMBL19799043 0.85 DPP4 (0.40) SIGMAR1DPP4OPRM1OPRL1SLC18A3
SCHEMBL26163646 0.83 DPP4 (0.42) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL12717643 0.82 SIGMAR1 (0.36) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL22271217 0.80 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL20095864 0.80 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL21573246 0.80 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH

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-4534978-A OXYGEN CARRYING COMPONENTS; TRANSFUSIONS THE GREEN CROSS CORPORATION (JP) 1985-08-13 US disclosed