SCHEMBL31282993

SCHEMBL31282993

Cc1ccnc2c1C1(CCN(Cc3ccccc3)CC1)OC=C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.55
▸ DRD2 P14416 4/20 0.45
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADRA2A P08913 1/20 0.41

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
SCHEMBL3001403 0.70 SIGMAR1 (0.61) SIGMAR1
SCHEMBL16836026 0.67 AVPR1A (0.52) SIGMAR1ADRA2A
SCHEMBL3006616 0.67 SIGMAR1 (0.60) SIGMAR1
SCHEMBL31283053 0.66 OPRL1 (0.46) CYP3A4HSD17B10
SCHEMBL2517838 0.66 SIGMAR1 (0.54) SIGMAR1ADRA2A
SCHEMBL16836045 0.66 SIGMAR1 (0.56) SIGMAR1ADRA2A
SCHEMBL3212649 0.65 OPRL1 (0.58) SIGMAR1CYP3A4HSD17B10
SCHEMBL16835994 0.65 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1966477 0.65 SIGMAR1 (0.61) SIGMAR1DRD2CYP3A4HSD17B10
SCHEMBL18563358 0.65 SIGMAR1 (0.61) SIGMAR1DRD2CYP3A4HSD17B10

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-4705293-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2026-03-11 — — EP disclosed
WO-2024229317-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-11-07 — — WO disclosed
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