SCHEMBL18743486

SCHEMBL18743486

CCCNC1CCN(c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 19/20 0.61
▸ CYP2C9 P11712 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18732868 0.92 CFTR (0.60) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694176 0.85 CFTR (0.72) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694002 0.85 CFTR (0.61) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693302 0.85 CFTR (0.64) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694085 0.85 CFTR (0.65) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693595 0.85 CFTR (0.65) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693073 0.85 CFTR (0.75) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694703 0.85 CFTR (0.75) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693945 0.84 CFTR (0.61) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692318 0.84 CFTR (0.62) CFTRCYP2C9HRH1TMEM97SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
Send feedback