SCHEMBL3633070

SCHEMBL3633070

CC(O)N1C(=O)CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B3 P37058 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 2/20 0.42
MAPT P10636 1/20 0.42
NOTUM Q6P988 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD3 P35462 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL5956393 0.86 SMN1; SMN2 (0.55) L3MBTL1POLBCYP2D6CYP2C9MEN1
SCHEMBL29896794 0.86 SMN1; SMN2 (0.55) L3MBTL1POLBCYP2D6CYP2C9MEN1
SCHEMBL4553814 0.82 L3MBTL1 (0.48) L3MBTL1POLBCYP2D6CYP2C9MEN1
SCHEMBL14567692 0.80 POLB (0.46) L3MBTL1POLBCYP2D6CYP2C9HSD17B3
SCHEMBL21459349 0.76 ALDH1A1 (0.50) L3MBTL1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL31303303 0.76 ALDH1A1 (0.50) L3MBTL1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL12043660 0.76 SMN1; SMN2 (0.53) L3MBTL1POLBCYP2D6CYP2C9MEN1
SCHEMBL1102396 0.75 L3MBTL1 (0.49) L3MBTL1CYP2D6CYP2C9MEN1KMT2A
SCHEMBL17174249 0.75 OPRM1 (0.48) POLBOPRM1OPRK1OPRL1NOTUM
SCHEMBL1536266 0.74 CHRM2 (0.37) CYP2D6CYP2C9MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
CN-112689633-B For inhibiting Nav1.8 Pyridinecarboxamide Compounds 利伯研究所公司 2025-01-24 CN disclosed
CN-114945566-B Substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2024-11-12 CN disclosed
CN-118852478-A Sulfated glycosaminoglycan biomaterials as proteoglycan mimics 格莱克罗吉克斯公司 2024-10-29 CN disclosed
CN-115697352-B Sulfated glycosaminoglycan biomaterials as proteoglycan mimics 格莱克罗吉克斯公司 2024-07-19 CN disclosed
CN-117940166-A SOS1 inhibitors and RAS inhibitors for the treatment of pain 塞文莱斯治疗有限公司 2024-04-26 CN disclosed
CN-112689629-B For inhibiting Nav1.8 Pyridazine Compounds 利伯研究所公司 2024-04-23 CN disclosed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 EP disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed