SCHEMBL17074595

SCHEMBL17074595

CCCNc1cnn(-c2cc(C)cc(C)c2)c(=O)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 1.00
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ NPC1 O15118 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CNR1 P21554 1/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ NPBWR1 P48145 3/20 0.45
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL17074609 0.89 CNR2 (0.81) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074602 0.83 RAB9A (0.85) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074605 0.83 CNR2 (0.70) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074601 0.81 CNR2 (0.67) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074603 0.80 CNR2 (1.00) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074596 0.80 CNR2 (0.66) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL3023507 0.75 RAB9A (0.72) CNR2RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL8243863 0.73 RAB9A (0.91) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074608 0.72 CNR2 (0.56) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074593 0.71 RAB9A (0.74) CNR2RAB9ASMN1; SMN2NPC1CYP1A2

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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