SCHEMBL31420190

SCHEMBL31420190

CC(C)(C)OC(=O)N1CCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.62
SLC6A3 Q01959 7/20 0.62
CYP3A4 P08684 2/20 0.62
SLC6A2 P23975 2/20 0.62
DRD3 P35462 2/20 0.62
KCNH2 Q12809 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
SLC22A1 O15245 1/20 0.62
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62

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
SCHEMBL31420176 0.90 SLC6A4 (0.54) SLC6A4SLC6A3HRH1
SCHEMBL1978087 0.80 MEN1 (0.56) CYP3A4CHRM2CHRM1MEN1KMT2A
SCHEMBL5688541 0.79 CACNA2D1 (0.60) SLC6A4SLC6A3CYP3A4SLC6A2DRD3
SCHEMBL10737014 0.79 KDM4E (0.62) SLC6A4SLC6A3TSHR
SCHEMBL1151981 0.78 SLC6A2 (0.97) SLC6A4SLC6A3CYP3A4SLC6A2DRD3
Cloperastine SCHEMBL9613613 0.77 SLC6A2 (1.00) SLC6A4SLC6A3CYP3A4SLC6A2DRD3
Cloperastine SCHEMBL29617329 0.77 SLC6A2 (1.00) SLC6A4SLC6A3CYP3A4SLC6A2DRD3
Cloperastine SCHEMBL284715 0.77 SLC6A2 (1.00) SLC6A4SLC6A3CYP3A4SLC6A2DRD3
SCHEMBL18135536 0.77 KCNA5 (0.64) DRD3TDP1MEN1KMT2A
Cloperastine SCHEMBL23733 0.76 CYP3A4 (1.00) SLC6A4SLC6A3CYP3A4SLC6A2DRD3

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
WO-2025058989-A1 NOVEL COMPOUNDS FOR TREATING CANCER MARSAL THERAPEUTICS, INC. (US) 2025-03-20 WO disclosed