SCHEMBL10840441

SCHEMBL10840441

CC1(C)CCc2cccc(Br)c2N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.37
▸ AR P10275 2/20 0.33
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL10839480 0.80 HTR5A (0.41) PDE7AARCA12CA1CA2
SCHEMBL10840955 0.79 HTR5A (0.40) PDE7AARCA12CA1CA2
SCHEMBL10841141 0.79 AHR (0.43) PDE7AAR
SCHEMBL29789651 0.79 HTR5A (0.40) PDE7AARCA12CA1CA2
SCHEMBL6986075 0.76 HTR5A (0.45) —
SCHEMBL29789658 0.76 HTR5A (0.45) —
SCHEMBL10841360 0.76 AR (0.33) AR
SCHEMBL10840425 0.75 AR (0.45) PDE7AAR
SCHEMBL10840604 0.75 KDM1A (0.34) AR
SCHEMBL756777 0.73 LIG1 (0.41) CA12CA1CA2CA4CA7

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
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
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