SCHEMBL10840683

SCHEMBL10840683

CC1(C)CCc2ccc(Cl)c(Cl)c2N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ PNMT P11086 6/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ NOTUM Q6P988 2/20 0.34
▸ CES1 P23141 1/20 0.33
▸ AR P10275 2/20 0.33
▸ PDE7A Q13946 1/20 0.31
▸ SRD5A1 P18405 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
SCHEMBL10841314 0.84 CES1 (0.38) HTR2AHTR2CHTR2BCES1AR
SCHEMBL10840116 0.84 AR (0.32) HTR2AHTR2CARPDE7ASRD5A1
SCHEMBL10841141 0.79 AHR (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10839029 0.73 KDM4E (0.32) AR
SCHEMBL10840056 0.71 PDE7A (0.36) HTR2AHTR2CADRA2ACES1AR
SCHEMBL10840092 0.70 PDE7A (0.40) ARPDE7A
SCHEMBL10839480 0.69 HTR5A (0.41) ARPDE7A
SCHEMBL10840441 0.68 PDE7A (0.37) ARPDE7A
SCHEMBL31243559 0.68 HTR2A (0.46) HTR2AHTR2CHTR2BARPDE7A
SCHEMBL29789651 0.68 HTR5A (0.40) ADRA2AARPDE7ASRD5A1

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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