SCHEMBL5282094

SCHEMBL5282094

c1ccc(CC2(c3ccccc3)N=NN=N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 1/20 0.42
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
CALM1 P0DP23 1/20 0.36
CYP3A4 P08684 1/20 0.35
IDO1 P14902 2/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
TSHR P16473 2/20 0.33
KDM1A O60341 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
BACE1 P56817 1/20 0.33
AGXT P21549 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4795297 0.77 MAOA (0.40) OPRL1OPRM1OPRK1MAOAMAOB
SCHEMBL5282506 0.76 MAOB (0.43) MAOAMAOBCALM1IDO1TSHR
SCHEMBL2233425 0.74 MAOA (0.32) MAOAMAOBP2RX1P2RX3P2RX4
SCHEMBL3925565 0.74 GAA (0.41) OPRL1OPRM1MAOAMAOBP2RX1
SCHEMBL5285392 0.74 TSHR (0.37) OPRL1OPRM1OPRK1TSHRTP53
SCHEMBL9978691 0.73 MAOB (0.40) MAOAMAOBCALM1IDO1TSHR
SCHEMBL5278331 0.73 MAOA (0.40) MAOAMAOBCALM1IDO1TSHR
SCHEMBL22032520 0.73 MAOA (0.40) MAOAMAOBCALM1IDO1TSHR
SCHEMBL5274344 0.73 MAOA (0.40) MAOAMAOBCALM1CYP3A4IDO1
SCHEMBL5284942 0.73 MAOA (0.40) MAOAMAOBCALM1IDO1TSHR

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-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed