SCHEMBL30924137

SCHEMBL30924137

COc1ccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.70
▸ ACKR3 P25106 3/20 0.57
▸ KCNH2 Q12809 2/20 0.54
▸ MCHR1 Q99705 2/20 0.54
▸ CACNA1G O43497 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ACHE P22303 1/20 0.52
▸ PRKAB2 O43741 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PRKAG3 Q9UGI9 1/20 0.50
▸ PRKAG2 Q9UGJ0 1/20 0.50
▸ PRKAB1 Q9Y478 1/20 0.50

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
SCHEMBL30924138 1.00 EPHX2 (0.70) EPHX2ACKR3KCNH2MCHR1CACNA1G
SCHEMBL30924062 0.91 EPHX2 (0.70) EPHX2CACNA1GACHE
SCHEMBL30924058 0.90 EPHX2 (0.69) EPHX2ACKR3CACNA1GACHEPRKAB2
SCHEMBL30924107 0.89 ERCC1 (0.60) EPHX2ACKR3KCNH2MCHR1CACNA1G
SCHEMBL30924072 0.88 EPHX2 (0.67) EPHX2ACKR3CACNA1GACHEPRKAB2
SCHEMBL30924112 0.88 EPHX2 (0.77) EPHX2ACHE
SCHEMBL30924032 0.88 ACKR3 (0.61) EPHX2ACKR3KCNH2MCHR1MEN1
SCHEMBL30924024 0.87 ACKR3 (0.55) EPHX2ACKR3KCNH2MCHR1CACNA1G
SCHEMBL30924061 0.83 KCNH2 (0.54) EPHX2ACKR3KCNH2MCHR1
SCHEMBL20589000 0.82 EPHX2 (1.00) EPHX2ACHE

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-4618985-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN Universitat De Barcelona (ES) 2025-09-24 — — EP disclosed
WO-2024105234-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN UNIVERSITAT DE BARCELONA (ES) 2024-05-23 — — WO disclosed
Send feedback