SCHEMBL17074603

SCHEMBL17074603

CCCNc1cnn(-c2cc(C)ccc2C)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 8/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ BRD4 O60885 4/20 0.44
▸ BRD9 Q9H8M2 2/20 0.44
▸ KAT2B Q92831 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 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
SCHEMBL17074611 0.82 CNR2 (0.69) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074595 0.80 CNR2 (1.00) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074609 0.77 CNR2 (0.81) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074602 0.76 RAB9A (0.85) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074605 0.71 CNR2 (0.70) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074608 0.69 CNR2 (0.56) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL17074610 0.68 SMN1; SMN2 (0.57) CNR2RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8243863 0.68 RAB9A (0.91) CNR2RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL11733824 0.67 RAB9A (0.54) CNR2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17074604 0.67 CNR2 (0.54) CNR2RAB9ASMN1; SMN2KDM4ENPC1

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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