SCHEMBL7287192

SCHEMBL7287192

NOCCCc1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TERT O14746 1/20 0.44
ALOX15 P16050 1/20 0.40
TAAR1 Q96RJ0 8/20 0.39
IDO1 P14902 1/20 0.38
FDPS P14324 1/20 0.35
HTR1A P08908 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3431746 0.81 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9777191 0.81 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL1899700 0.81 TBXAS1 (0.49) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28062565 0.79 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.79 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL31366376 0.78 TBXAS1 (0.46) TBXAS1TERTALOX15TAAR1HTR1A
SCHEMBL72312 0.78
SCHEMBL285224 0.76 TERT (0.59) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL10593420 0.76 TBXAS1 (0.54) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL11095387 0.76 TBXAS1 (0.54) TBXAS1TERTALOX15TAAR1FDPS

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-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed