SCHEMBL24786145

SCHEMBL24786145

CC1CC(S)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL598990 0.80 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL597801 0.80 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3783239 0.80 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3783240 0.80 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL25590294 0.73
SCHEMBL910279 0.73
SCHEMBL9167515 0.72
SCHEMBL20381172 0.70 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL1411809 0.68 APLNR (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL6554381 0.68 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4CYP1A2CYP2C9

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-2022261427-A1 (4-(6-((2-OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)PHENYL)(IMINO)(METHYL)-LAMBDA6- SULFANONE DERIVATIVES AND SIMILAR COMPOUNDS AS MUSCARINIC ACETYLCHOLINE RECEPTOR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS VANDERBILT UNIVERSITY (US) 2022-12-15 WO disclosed