SCHEMBL31184736

SCHEMBL31184736

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CALCRL Q16602 10/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ RAMP1 O60894 3/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ CHRM4 P08173 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A9 P48067 2/20 0.33
▸ CCR5 P51681 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
SCHEMBL31184511 0.85 BRD4 (0.41) CDK5CDK5R1CALCRLCHRM4CHRM1
SCHEMBL31184907 0.83 JAK2 (0.40) CDK5CDK5R1CALCRLCHRM4CHRM1
SCHEMBL31184643 0.80 PARP1 (0.37) —
SCHEMBL31185021 0.80 MAPT (0.36) —
SCHEMBL31184638 0.80 PARP1 (0.37) —
SCHEMBL31184579 0.78 ALDH1A1 (0.42) —
SCHEMBL31184698 0.78 CHRM4 (0.36) CDK5CDK5R1CALCRLRAMP1CHRM4
SCHEMBL31184987 0.77 HTR2B (0.36) HTR2AHTR2CHTR2BHRH1
SCHEMBL31184982 0.76 ALDH1A1 (0.42) —
SCHEMBL31184910 0.71 TRPV1 (0.40) —

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
Send feedback