SCHEMBL28653752

SCHEMBL28653752

OC1(c2ccccc2)CC(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.46
▸ OPRL1 P41146 5/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ KDM1A O60341 6/20 0.44
▸ MAOA P21397 6/20 0.44
▸ MAOB P27338 6/20 0.44
▸ GRIN2B Q13224 4/20 0.42
▸ OPRK1 P41145 3/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ GPR183 P32249 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
SCHEMBL9067468 0.83 TRPA1 (0.46) TRPA1KDM1AMAOAMAOBPTGS2
SCHEMBL20437086 0.79 TRPA1 (0.47) OPRM1OPRL1TRPA1OPRK1OPRD1
SCHEMBL23259467 0.76 MAOB (0.50) OPRM1OPRL1KDM1AMAOAMAOB
SCHEMBL23259077 0.76 OPRM1 (0.47) OPRM1OPRL1GRIN2BOPRK1OPRD1
SCHEMBL12975993 0.72 OPRM1 (0.49) OPRM1OPRL1GRIN2BOPRK1OPRD1
SCHEMBL16993536 0.72 GRIN2B (0.47) OPRM1OPRL1GRIN2BOPRK1OPRD1
SCHEMBL12093047 0.72 OPRM1 (0.49) OPRM1OPRL1GRIN2BOPRK1OPRD1
SCHEMBL21214372 0.72 OPRM1 (0.54) OPRM1OPRL1GRIN2BOPRK1OPRD1
SCHEMBL7254284 0.72 TRPA1 (0.53) TRPA1KDM1AMAOAMAOB
SCHEMBL28922633 0.71 TRPA1 (0.41) TRPA1KDM1AMAOAMAOBPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894141-B Method for synthesizing acyl indene alkane derivative 贺州学院 2023-12-22 — — CN disclosed
CN-115894141-A Synthesis method of acylindene derivatives 贺州学院 2023-04-04 — — CN disclosed
CN-113651752-B Synthesis method of 2-aroylquinoline derivative 温州大学 2023-02-10 — — CN disclosed
CN-113636977-B Synthesis method of 2-aryl benzazepine and derivatives thereof 温州大学 2022-12-20 — — CN disclosed
CN-113651752-A Synthesis method of 2-aroylquinoline derivative 温州大学 2021-11-16 — — CN disclosed
CN-113636977-A Synthesis method of 2-aryl benzazepine and derivatives thereof 温州大学 2021-11-12 — — CN disclosed
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