SCHEMBL10840604

SCHEMBL10840604

CC1(C)CCc2cccc(C#N)c2N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.34
▸ TRPA1 O75762 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PNMT P11086 1/20 0.34
▸ AR P10275 2/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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 0.76 HTR5A (0.41) ARTSHRALDH1A1
SCHEMBL23123951 0.75 KDM1A (0.47) KDM1AGAAPNMTARTSHR
SCHEMBL29789927 0.75 KDM1A (0.47) KDM1AGAAPNMTARTSHR
SCHEMBL10841141 0.75 AHR (0.43) PNMTARHTR2AHTR2CHTR2B
SCHEMBL10840955 0.75 HTR5A (0.40) ARDRD2
SCHEMBL10840441 0.75 PDE7A (0.37) AR
SCHEMBL29789651 0.75 HTR5A (0.40) ARDRD2
SCHEMBL29789658 0.72 HTR5A (0.45) DRD2HTR2C
SCHEMBL10841360 0.72 AR (0.33) AR
SCHEMBL6986075 0.72 HTR5A (0.45) DRD2HTR2C

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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