SCHEMBL17074597

SCHEMBL17074597

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ CNR2 P34972 3/20 0.52
▸ CNR1 P21554 2/20 0.52
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL17074613 0.87 CA12 (0.62) CA12CA1CA2CA9CNR2
SCHEMBL17074601 0.85 CNR2 (0.67) CA12CA1CA2CA9CNR2
SCHEMBL17074605 0.81 CNR2 (0.70) CA12CA1CA2CA9CNR2
SCHEMBL17074607 0.78 CNR2 (0.54) CNR2CNR1KMT2ASMN1; SMN2PKM
SCHEMBL17074606 0.76 CNR2 (0.61) CA12CA1CA2CA9CNR2
SCHEMBL17074611 0.75 CNR2 (0.69) CA12CA1CA2CA9CNR2
SCHEMBL11729681 0.73 NPBWR1 (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL9527623 0.72 HTR7 (0.49) ALDH1A1SIGMAR1
SCHEMBL11277555 0.70 NPBWR1 (0.60) CA12CA1CA2CA9CNR2
SCHEMBL9528278 0.69 DRD2 (0.46) KMT2ASMN1; SMN2PKMALDH1A1SIGMAR1

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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