SCHEMBL5050317

SCHEMBL5050317

O=C(Cn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.67
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
EPHX2 P34913 1/20 0.49
THRB P10828 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL13307838 0.93 CNR1 (0.61) CNR1MEN1KMT2AALDH1A1EPHX2
SCHEMBL13307870 0.85 CNR1 (0.92) CNR1
SCHEMBL13307825 0.80 CNR1 (1.00) CNR1
SCHEMBL5050321 0.80 CNR2 (0.51) CNR1MEN1KMT2AMAPT
SCHEMBL13307754 0.77 CNR1 (0.55) CNR1POLBALDH1A1ALOX15MAPT
SCHEMBL13307995 0.77 CNR1 (0.66) CNR1MEN1KMT2A
SCHEMBL13307957 0.75 CNR1 (0.74) CNR1
SCHEMBL23495325 0.74 ALDH1A1 (0.58) CNR1MEN1KMT2AALDH1A1TSHR
SCHEMBL5049609 0.73 CNR1 (0.50) CNR1KMT2AALDH1A1
SCHEMBL23495210 0.73 ALDH1A1 (0.59) MEN1KMT2AALDH1A1TSHRALOX15

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
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed