SCHEMBL29649949

SCHEMBL29649949

CN1CC2CCC(C1)C2COc1cc(CN)ccn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 17/20 0.49
LOX P28300 11/20 0.49
LOXL3 P58215 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL24493356 1.00 LOXL2 (0.49) LOXL2LOXLOXL3CYP1A2CYP3A4
SCHEMBL24493584 0.80 HCRTR2 (0.39) CYP2D6
SCHEMBL30578250 0.79 LOXL2 (0.51) LOXL2LOXLOXL3
SCHEMBL429671 0.79 LOXL2 (0.51) LOXL2LOXLOXL3
SCHEMBL30578218 0.78 KDM2B (0.42)
SCHEMBL27096107 0.76 F12 (0.36)
SCHEMBL27095833 0.76 MRGPRX1 (0.46)
SCHEMBL24493358 0.74 LOXL2 (0.46) LOXL2LOXLOXL3CYP1A2CYP3A4
SCHEMBL445278 0.73 LOXL2 (0.50) LOXL2LOXLOXL3CYP1A2CYP3A4
SCHEMBL4933505 0.72 LOXL2 (0.70) LOXL2LOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255900-A2 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2023-10-11 EP disclosed
CN-116745278-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2023-09-12 CN disclosed
WO-2022118016-A2 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-06-09 WO disclosed