SCHEMBL9480995

SCHEMBL9480995

CCCCCC1NCCNCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.41
SLC22A1 O15245 1/20 0.39
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
PNMT P11086 1/20 0.35
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 1/20 0.34
HTR2C P28335 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL6923373 0.86 PRCP (0.40) PRCPSLC22A1CYP2D6HTR2CHTR2A
SCHEMBL38665128 0.85 CYP2D6 (0.39) PRCPSLC22A1CYP2D6HTR2CHTR2A
SCHEMBL29532113 0.85 CYP2D6 (0.39) PRCPSLC22A1CYP2D6HTR2CHTR2A
Hydrochloric Acid SCHEMBL814140 0.84 ALDH1A1 (0.38) PRCPSLC22A1CYP2D6HTR2CHTR2A
SCHEMBL6429588 0.84 PRCP (0.59) PRCPSLC22A1OPRM1OPRK1SMN1; SMN2
SCHEMBL11805092 0.83 PRCP (0.46) PRCPSLC22A1CYP2D6MEN1CYP3A4
Ammonia Solution, Strong SCHEMBL28831335 0.82 PRCP (0.57) PRCPSLC22A1OPRM1OPRK1SMN1; SMN2
SCHEMBL27620851 0.82 PRCP (0.41) PRCPSLC22A1PNMTHTR2A
SCHEMBL27985631 0.79 PRCP (0.60) PRCPSLC22A1OPRM1OPRK1SMN1; SMN2
SCHEMBL1248364 0.78 BCHE (0.41) CYP2D6MEN1CYP3A4KMT2A

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
US-5268372-A Where nitrogen in position 2 and 5 are connected by a methylene bridge STERLING WINTHROP INC. (US) 1993-12-07 US disclosed
US-5206231-A 2,5-benzodiazocine antiarrhythmic agents STERLING DRUG INC. (US) 1993-04-27 US disclosed