SCHEMBL17074613

SCHEMBL17074613

O=c1c(Cl)c(NCCN2CCOCC2)cnn1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ CNR2 P34972 4/20 0.58
▸ CNR1 P21554 2/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NR2F2 P24468 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SIGMAR1 Q99720 2/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL17074601 0.90 CNR2 (0.67) CA12CA1CA2CA9CNR2
SCHEMBL17074597 0.87 CA12 (0.56) CA12CA1CA2CA9CNR2
SCHEMBL17074611 0.80 CNR2 (0.69) CA12CA1CA2CA9CNR2
SCHEMBL17074606 0.78 CNR2 (0.61) CA12CA1CA2CA9CNR2
SCHEMBL17074609 0.78 CNR2 (0.81) CA12CA1CA2CA9CNR2
SCHEMBL9527132 0.76 KAT2B (0.49) CNR2CNR1
SCHEMBL2323787 0.73 CNR2 (1.00) CA12CA1CA2CA9CNR2
SCHEMBL14739433 0.72 CNR1 (0.52) CA12CA1CA2CA9CNR2
SCHEMBL9194317 0.69 LMNA (0.54) CA12CA1CA2CA9CNR2
SCHEMBL17074595 0.69 CNR2 (1.00) CA12CA1CA2CA9CNR2

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-2957560-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN, INC. (US) 2015-12-23 — — EP disclosed
EP-2534137-B1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN INC (US) 2015-09-16 — — EP disclosed
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