SCHEMBL23958796

SCHEMBL23958796

Cc1cc2cc(C(=O)NCC(c3cc(C(C)(C)O)c(F)c(-c4ccc(F)cc4)n3)C3(F)CC3)cc(OC3CC3)c2nn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
AR P10275 1/20 0.30
SLC5A7 Q9GZV3 1/20 0.30

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
SCHEMBL25687482 0.84 CFTR (0.33) CFTRARSLC5A7
SCHEMBL28909136 0.84 CFTR (0.33) CFTRARSLC5A7
SCHEMBL30007206 0.84 CFTR (0.33) CFTRARSLC5A7
SCHEMBL23905281 0.83
SCHEMBL30007413 0.82 CFTR (0.34) CFTRP2RX3P2RX2AR
SCHEMBL23958646 0.82 CFTR (0.34) CFTRP2RX3P2RX2AR
SCHEMBL25241094 0.82 CFTR (0.34) CFTRP2RX3P2RX2AR
SCHEMBL25687473 0.82 CFTR (0.34) CFTRP2RX3P2RX2ARSLC5A7
SCHEMBL25687485 0.82 CFTR (0.36) CFTRP2RX3P2RX2AR
SCHEMBL28961080 0.80 CFTR (0.31) CFTR

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed