SCHEMBL29980468

SCHEMBL29980468

CC1(C(=O)O)CCC(c2nc3ccccc3[nH]2)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTR2B P41595 8/20 0.46
NPY5R Q15761 1/20 0.44
KMT2A Q03164 1/20 0.43
GID4 Q8IVV7 1/20 0.43

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
SCHEMBL23648719 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HTR2BNPY5RKMT2AGID4
Bicarbonate SCHEMBL3927368 0.79 HTR2B (0.44) SMN1; SMN2HTR2BGID4
SCHEMBL3924167 0.73 TRPC3 (0.43) SMN1; SMN2HTR2BNPY5RKMT2A
SCHEMBL28614344 0.73 NPY5R (0.45) SMN1; SMN2HTR2BNPY5RKMT2A
SCHEMBL2276872 0.70 ALDH1A1 (0.59) SMN1; SMN2HTR2BNPY5RKMT2AGID4
SCHEMBL4121296 0.69 HTR2B (0.72) SMN1; SMN2HTR2B
Carbamic Acid SCHEMBL28440834 0.69 PARP1 (0.61) HTR2BGID4
Hydrochloric Acid SCHEMBL31596380 0.68 MAPT (0.57) SMN1; SMN2HTR2BNPY5RKMT2AGID4
SCHEMBL13050232 0.68 ALDH1A1 (0.46) SMN1; SMN2HTR2BNPY5RKMT2A
SCHEMBL13050704 0.68 ALDH1A1 (0.46) SMN1; SMN2HTR2BNPY5RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4095129-A1 BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF EXHIBITING AN ANTI-GERIATRIC EFFECT Farber, Boris Slavinovich (RU) 2022-11-30 EP claimed
EP-4095129-A1 BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF EXHIBITING AN ANTI-GERIATRIC EFFECT Farber, Boris Slavinovich (RU) 2022-11-30 EP disclosed