SCHEMBL30833200

SCHEMBL30833200

NC1C[C@H]2CC[C@@H](C1)N2Cc1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.37
KCNH2 Q12809 4/20 0.37
OPRM1 P35372 3/20 0.37
DPP4 P27487 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
VNN1 O95497 3/20 0.32
OPRL1 P41146 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL30201532 0.87 DPP4 (0.41) OPRK1KCNH2OPRM1DPP4VNN1
SCHEMBL20070534 0.75 VNN1 (0.41) OPRK1GABRA1GABRA5VNN1OPRL1
SCHEMBL1022931 0.72 KDM4E (0.39) DPP4
SCHEMBL20148639 0.72 VNN1 (0.37) OPRM1GABRA1GABRA5VNN1OPRL1
SCHEMBL30833237 0.69 OPRM1 (0.31) OPRK1KCNH2OPRM1
SCHEMBL30833221 0.68 PTPN11 (0.40)
SCHEMBL17289014 0.66 TNKS (0.46) GABRA1GABRA5
SCHEMBL30833230 0.66 JAK2 (0.41) OPRK1KCNH2OPRM1
SCHEMBL15021133 0.65 CHRM2 (0.58) OPRK1KCNH2OPRM1
SCHEMBL21772974 0.65 CHRM2 (0.58) OPRK1KCNH2OPRM1

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-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed