SCHEMBL9276014

SCHEMBL9276014

CCN(C(=O)c1ccc(Cl)cc1)C(C)C(C)CN1CCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ OPRD1 P41143 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9102734 0.85 USP2 (0.48) USP2ALOX15OPRD1OPRM1TSHR
SCHEMBL9102724 0.85 USP2 (0.48) USP2ALOX15OPRD1OPRM1TSHR
SCHEMBL9280325 0.85 USP2 (0.50) USP2ALOX15TSHRNTSR1MCHR1
SCHEMBL9104918 0.82 USP2 (0.51) USP2ALOX15OPRD1TSHRNTSR1
SCHEMBL9104927 0.82 USP2 (0.51) USP2ALOX15OPRD1TSHRNTSR1
SCHEMBL9104500 0.75 USP2 (0.51) USP2ALOX15OPRD1TSHRNTSR1
SCHEMBL9104181 0.74 USP2 (0.50) USP2ALOX15TSHRMCHR1
SCHEMBL9104187 0.74 USP2 (0.50) USP2ALOX15TSHRMCHR1
SCHEMBL9274530 0.73 HRH3 (0.44) USP2ALOX15TSHRCHRM2CYP2D6
SCHEMBL9103203 0.72 SLC6A4 (0.46) USP2ALOX15OPRD1OPRM1TSHR

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-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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