SCHEMBL11204616

SCHEMBL11204616

Nc1nn(CCN2CCCCCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.54
CNR2 P34972 7/20 0.54
CNR1 P21554 6/20 0.54
SIGMAR1 Q99720 4/20 0.45
HTR7 P34969 4/20 0.42
HRH1 P35367 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL10831065 1.00 BCHE (0.54) BCHECNR2CNR1SIGMAR1HTR7
Hydrochloric Acid SCHEMBL10831337 0.98 BCHE (0.53) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL10832093 0.91 BCHE (0.46) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL10368142 0.91 BCHE (0.46) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL10832212 0.90 HTR7 (0.50) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL10369845 0.90 BCHE (0.45) BCHECNR2CNR1HTR7HRH3
SCHEMBL30860188 0.87 CNR1 (0.50) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL30860294 0.87 POLB (0.44) BCHECNR2CNR1HTR7POLB
SCHEMBL10369871 0.87 CNR1 (0.50) BCHECNR2CNR1SIGMAR1HTR7
SCHEMBL10831270 0.82 BCHE (0.54) BCHECNR2CNR1SIGMAR1HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58159468-A None JP disclosed
JP-S58159468-A NOVEL 1-SUBSTITUTED 3-AMINOINDAZOLE DERIVATIVE AND ITS PREPARATION ASAHI CHEM IND CO LTD 1983-09-21 JP disclosed