SCHEMBL31490134

SCHEMBL31490134

C=CCC1COc2ccc(N)cc2N1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.34
▸ DRD3 P35462 8/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ DHFR P00374 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL23769078 1.00 DRD2 (0.34) DRD2DRD3HDAC1DHFRRIPK1
SCHEMBL23769085 0.82 MEN1 (0.39) DRD2DRD3HDAC1CYP19A1SIGMAR1
SCHEMBL31490283 0.82 MEN1 (0.39) DRD2DRD3HDAC1CYP19A1SIGMAR1
SCHEMBL23769068 0.81 POLB (0.40) DHFRCYP2D6RAB9A
SCHEMBL23769120 0.81 HTT (0.36) DRD2DRD3HDAC1RIPK1NPC1
SCHEMBL29979518 0.81 POLB (0.40) DHFRCYP2D6RAB9A
SCHEMBL31490092 0.79 HDAC1 (0.34) DRD2DRD3HDAC1CYP19A1LMNA
SCHEMBL23769067 0.79 HDAC1 (0.34) DRD2DRD3HDAC1CYP19A1LMNA
SCHEMBL31490161 0.76 DRD2 (0.40) DRD2DRD3RIPK1HTR1ASIGMAR1
SCHEMBL23769091 0.76 DRD2 (0.40) DRD2DRD3RIPK1HTR1ASIGMAR1

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 — — CN disclosed
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