SCHEMBL30587447

SCHEMBL30587447

Cn1ccc2cc(CNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.57
TRPV1 Q8NER1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL23928856 1.00 CHRNA7 (0.57) CHRNA7TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL8047542 0.85 BRD4 (0.44) CHRNA7KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL23928858 0.81 CHRNA7 (0.64) CHRNA7TRPV1KDM4E
SCHEMBL13837417 0.80 BRD9 (0.47) KDM4E
SCHEMBL17653861 0.80 CACNA1H (0.46) CHRNA7
SCHEMBL29269258 0.80 CACNA1H (0.50) TRPV1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL31035896 0.79 CHRNA7 (0.58) CHRNA7TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL10165151 0.78 POLB (0.52) KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL20946419 0.78 GAA (0.46) KDM4E
SCHEMBL3180689 0.77 L3MBTL1 (0.61)

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
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed