SCHEMBL5049522

SCHEMBL5049522

CCCCCCCn1nnc(-c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.50
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 1/20 0.44
CNR1 P21554 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
SCHEMBL5049432 1.00 SLC9A1 (0.50) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5047920 0.99 SLC9A1 (0.49) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5053635 0.99 SLC9A1 (0.49) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5049603 0.78 MEN1 (0.46) MEN1CYP1A2CYP2C9CRHBPCYP2C19
SCHEMBL5049567 0.78 CDC7 (0.60) SLC9A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5051897 0.78 CDC7 (0.60) SLC9A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8103917 0.78 PTGIR (0.43) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL13307642 0.77 POLB (0.52) MEN1KMT2AMAPTCNR1
SCHEMBL27692922 0.77 SLC9A1 (0.52) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5053629 0.76 CYP1A2 (0.47) MEN1CYP1A2CYP2C9CRHBPCYP2C19

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