SCHEMBL30924149

SCHEMBL30924149

COc1cccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.61
▸ MAPT P10636 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CACNA1G O43497 2/20 0.53
▸ CHRM4 P08173 2/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL30924099 0.87 ACKR3 (0.57) ACKR3SIGMAR1CHRM2ALDH1A1CACNA1G
SCHEMBL30924154 0.86 KDM4E (0.58) SIGMAR1CHRM2ALDH1A1CACNA1GCHRM4
SCHEMBL30924130 0.80 CHRM4 (0.61) ACKR3CHRM2CHRM1CHRM4
SCHEMBL30924105 0.80 P2RX7 (0.68) ACKR3SIGMAR1
SCHEMBL30924112 0.80 EPHX2 (0.77) SIGMAR1CHRM4
SCHEMBL30924111 0.79 CHRM4 (0.61) SIGMAR1CHRM2CHRM1CHRM4
SCHEMBL23832299 0.78 ACHE (0.67) SIGMAR1
SCHEMBL30924093 0.77 CACNA1G (0.58) SIGMAR1CHRM2CACNA1GCHRM4
SCHEMBL30924083 0.77 ACKR3 (0.62) ACKR3SIGMAR1ALDH1A1
SCHEMBL30924123 0.77 CHRM2 (0.59) ACKR3CHRM2CHRM1CHRM4

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
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