SCHEMBL29361618

SCHEMBL29361618

O=C(NC1CC12CCN(CCc1ccccc1)CC2)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.51
▸ KCNH2 Q12809 3/20 0.48
▸ UTS2R Q9UKP6 3/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL18838514 1.00 DRD4 (0.51) DRD4KCNH2UTS2RSIGMAR1OPRM1
SCHEMBL29363908 0.91 DRD4 (0.53) DRD4KCNH2UTS2RSIGMAR1MEN1
SCHEMBL18838422 0.91 DRD4 (0.53) DRD4KCNH2UTS2RSIGMAR1MEN1
SCHEMBL18838401 0.91 KMT2A (0.54) DRD4KCNH2UTS2RSIGMAR1MEN1
SCHEMBL18860277 0.89 DRD4 (0.51) DRD4KCNH2UTS2RSIGMAR1MEN1
SCHEMBL18838376 0.88 KCNH2 (0.60) DRD4KCNH2SIGMAR1OPRM1OPRD1
SCHEMBL18838506 0.87 HTR2A (0.54) DRD4KCNH2SIGMAR1OPRM1OPRD1
SCHEMBL29364658 0.82 KCNH2 (0.60) KCNH2UTS2ROPRM1OPRD1OPRK1
SCHEMBL18838420 0.82 KCNH2 (0.60) KCNH2UTS2ROPRM1OPRD1OPRK1
SCHEMBL18838407 0.82 KCNH2 (0.53) DRD4KCNH2SIGMAR1OPRM1OPRD1

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
CN-108289886-B Ion channel inhibiting compounds, pharmaceutical formulations and uses 安华赛公司 2022-01-28 — — CN disclosed
Send feedback