SCHEMBL10838809

SCHEMBL10838809

CCC1CCc2cc(C)c(Cl)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.43
▸ MAPK1 P28482 1/20 0.37
▸ MTNR1A P48039 3/20 0.33
▸ CRHR1 P34998 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ PNMT P11086 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 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
SCHEMBL10840801 0.86 AR (0.47) ARMAPK1MTNR1ACYP1A2CYP2D6
SCHEMBL10840727 0.78 AR (0.40) ARHTR2BBRD4CREBBP
SCHEMBL10841342 0.77 AR (0.43) ARMTNR1ACRHR1HTR2BADRA2A
SCHEMBL14767430 0.71 AR (0.43) ARMTNR1AADRA2APNMTADRA2B
SCHEMBL22298131 0.71 AR (0.43) ARMTNR1AADRA2APNMTADRA2B
SCHEMBL10838799 0.70 AR (0.34) ARMTNR1AHTR2BBRD4CREBBP
SCHEMBL20870486 0.69 MTNR1A (0.60) ARMTNR1ABRD4CREBBP
SCHEMBL4139663 0.69 MTNR1A (0.60) ARMTNR1ABRD4CREBBP
SCHEMBL22262591 0.69 MTNR1A (0.60) ARMTNR1ABRD4CREBBP
SCHEMBL29659962 0.69 MTNR1A (0.60) ARMTNR1ABRD4CREBBP

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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