SCHEMBL31544490

SCHEMBL31544490

COc1ccc(C(=O)OC2CC3CCC(C2)N3)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.81
MEN1 O00255 1/20 0.81
CYP2D6 P10635 2/20 0.67
CHRNA7 P36544 1/20 0.59
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL31544489 1.00 KMT2A (0.81) KMT2AMEN1CYP2D6CHRNA7MAPT
SCHEMBL19624160 0.84 CYP2D6 (0.70) KMT2AMEN1CYP2D6MAPTTSHR
SCHEMBL17933662 0.80 CYP2D6 (0.65) KMT2AMEN1CYP2D6MAPTTSHR
SCHEMBL31544491 0.80 CYP2D6 (1.00) KMT2AMEN1CYP2D6CHRNA7TSHR
SCHEMBL30555800 0.80 CYP2D6 (1.00) KMT2AMEN1CYP2D6CHRNA7TSHR
SCHEMBL29750307 0.80 CYP2D6 (0.81) KMT2AMEN1CYP2D6CHRNA7MAPT
SCHEMBL30637442 0.78 CYP2D6 (0.81) KMT2AMEN1CYP2D6CHRNA7TSHR
SCHEMBL17933781 0.78 CYP2D6 (0.62) KMT2AMEN1CYP2D6MAPTTSHR
SCHEMBL7302350 0.76 CHRNA7 (0.63) KMT2AMEN1CYP2D6CHRNA7TSHR
SCHEMBL1103724 0.75 CHRNA7 (1.00) KMT2AMEN1CHRNA7

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-4523686-A1 A SIGMA-1 RECEPTOR POSITIVE MODULATOR FOR ITS USE IN THE PREVENTION AND THE TREATMENT OF A PATHOLOGY UNIVERSITE DE MONTPELLIER (FR) 2025-03-19 EP disclosed