SCHEMBL31184907

SCHEMBL31184907

Cc1cccc2c1CN(C1CCC(C(=O)O)CC1)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CHRM4 P08173 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CALCRL Q16602 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL31184698 0.87 CHRM4 (0.36) JAK2CDK5CDK5R1CHRM4CHRM1
SCHEMBL31184736 0.83 CDK5 (0.36) CDK5CDK5R1CHRM4CHRM1CALCRL
SCHEMBL31184692 0.81 JAK2 (0.39) JAK2KMT2AMEN1TNKS
SCHEMBL31184529 0.80 MAPK1 (0.49) MAPTKMT2AMEN1
SCHEMBL31184557 0.78 JAK2 (0.36) JAK2CHRM4CHRM1CALCRLKMT2A
SCHEMBL31184910 0.78 TRPV1 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL31184955 0.77 AHR (0.39) JAK2MAPTKMT2AMEN1
SCHEMBL31184406 0.77 POLB (0.43) MAPT
SCHEMBL31184511 0.76 BRD4 (0.41) CDK5CDK5R1CHRM4CHRM1CALCRL
SCHEMBL31184574 0.74 ACE (0.37) CDK5CDK5R1CHRM4CHRM1CALCRL

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
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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