SCHEMBL30291397

SCHEMBL30291397

O=CC1(c2ccccc2Br)CCCC(OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HDAC4 P56524 2/20 0.35
EPHX2 P34913 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
CTSV O60911 1/20 0.33
CTSS P25774 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
AGTR2 P50052 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL23645470 1.00 OPRM1 (0.38) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645695 0.87 HDAC4 (0.43) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291457 0.78 DPP4 (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645516 0.78 DPP4 (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645672 0.77 CTSL (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291311 0.77 CTSL (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645517 0.70 DPP4 (0.38) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291293 0.70 DPP4 (0.38) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL22111662 0.70 OPRM1 (0.48) OPRM1OPRL1DPP4SIGMAR1EPHX2
SCHEMBL23380038 0.68 DPP4 (0.49) OPRM1OPRL1DPP4SIGMAR1EPHX2

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
CN-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed