SCHEMBL9694525

SCHEMBL9694525

NCc1ccc(C2(c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.52
TAAR1 Q96RJ0 2/20 0.50
OPRM1 P35372 3/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP2D6 P10635 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL9694527 0.82 MAOB (0.47) LOXL2TAAR1MAOBMAOAHRH3
SCHEMBL2256575 0.79 OPRM1 (0.67) TAAR1OPRM1MAOBMAOAMEN1
SCHEMBL2256573 0.79 OPRM1 (0.67) TAAR1OPRM1MAOBMAOAMEN1
Bromide SCHEMBL28969840 0.77 OPRM1 (0.64) TAAR1OPRM1MAOBMAOAMEN1
Ammonia Solution, Strong SCHEMBL1158702 0.77 OPRM1 (0.64) TAAR1OPRM1MAOBMAOAMEN1
SCHEMBL4548529 0.76 LOXL2 (0.48) LOXL2TAAR1MAOBMAOACHRM2
SCHEMBL5605256 0.75 LOXL2 (0.46) LOXL2TAAR1MAOBMAOADPP4
Bromide SCHEMBL28680754 0.74 OPRM1 (0.61) TAAR1OPRM1MAOBMAOAMEN1
Iodide SCHEMBL28805522 0.74 OPRM1 (0.61) TAAR1OPRM1MAOBMAOAMEN1
Benzene SCHEMBL734439 0.74 LOXL2 (0.80) LOXL2TAAR1MAOBHRH3ABAT

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-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 US disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 US disclosed