SCHEMBL9762253

SCHEMBL9762253

CC(c1ccccc1)c1ccc(CCN)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.58
HTR2A P28223 3/20 0.58
CYP2A6 P11509 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.58
CYP1A2 P05177 1/20 0.48
HTR6 P50406 1/20 0.47
HRH1 P35367 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL27969129 0.83 LOXL2 (0.54) TAAR1HTR2ACYP2A6LOXL2HRH1
SCHEMBL2011886 0.82 TAAR1 (0.60) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL6546083 0.82 HTR2A (0.50) TAAR1HTR2A
SCHEMBL28059422 0.81 MAOA (0.46) TAAR1CYP2A6MAOAMAOB
Phenethylamine SCHEMBL3135462 0.80 TAAR1 (0.64) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL717640 0.79 TAAR1 (0.56) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL13557873 0.79 TAAR1 (0.56) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL6547609 0.78 HTR2A (0.60) HTR2ASMN1; SMN2
Phenethylamine SCHEMBL1930179 0.78 TAAR1 (0.73) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL27220940 0.78 TAAR1 (0.50) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2

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
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed