SCHEMBL10841078

SCHEMBL10841078

CC1CCc2cccc(Cl)c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.41
▸ AHR P35869 1/20 0.40
▸ HTR5A P47898 2/20 0.38
▸ ADRA2A P08913 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ HTR2B P41595 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL10840679 0.80 MEN1 (0.50) HTR2CHTR5AADRA2AADRA2BADRA2C
SCHEMBL30163317 0.80 MEN1 (0.50) HTR2CHTR5AADRA2AADRA2BADRA2C
SCHEMBL9394752 0.79 CD44 (0.36) CREBBPALDH1A1MEN1KMT2AMAPT
SCHEMBL10841161 0.79 ALDH1A1 (0.39) HTR5ABRD4CREBBPHTR1AHTR7
SCHEMBL3950953 0.79 CHRM3 (0.41) HTR2CHTR2BHTR1A
SCHEMBL19511078 0.78 ALDH1A1 (0.35) CREBBPALDH1A1MEN1KMT2AGFER
SCHEMBL10841335 0.78 AHR (0.37) HTR2CAHRHTR5AADRA2AADRA2B
SCHEMBL10840724 0.77 BRD4 (0.39) HTR2CBRD4CREBBPHTR2BMEN1
SCHEMBL18602431 0.76 HTR1A (0.40) CREBBPHTR1AALDH1A1MEN1KMT2A
SCHEMBL10840744 0.76 PDK2 (0.39) HTR2CCREBBPHTR2BALDH1A1MEN1

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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