SCHEMBL31282093

SCHEMBL31282093

Cn1c(=O)n(C2CCCNC2)c2ccc(CN3CCC(COC4CCNCC4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ OPRM1 P35372 3/20 0.34
▸ DDB1 Q16531 2/20 0.34
▸ CRBN Q96SW2 2/20 0.34
▸ CTSS P25774 4/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ OPRL1 P41146 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD4 P21917 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ TMEM97 Q5BJF2 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
SCHEMBL31281914 0.97 DRD2 (0.38) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31281895 0.90 DRD2 (0.35) DRD2SLC6A4CYP3A4DDB1CRBN
SCHEMBL31282370 0.89 DRD2 (0.40) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31282427 0.88 DRD2 (0.41) DRD2SLC6A4CYP3A4DDB1CRBN
SCHEMBL31281909 0.88 DRD2 (0.41) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31282708 0.86 DRD2 (0.42) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31282557 0.84 DRD2 (0.36) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31282081 0.84 DRD2 (0.44) DRD2SLC6A4CYP3A4OPRM1DDB1
SCHEMBL31281965 0.84 DRD2 (0.39) DRD2SLC6A4CYP3A4DDB1CRBN
SCHEMBL31282474 0.82 GNAI3 (0.36) DRD2OPRM1CTSSGNRHROPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731309-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2026-04-29 — — EP disclosed
WO-2024263586-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS PAQ Therapeutics Inc. (US) 2024-12-26 — — WO disclosed
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