SCHEMBL30006884

SCHEMBL30006884

Cc1cnc2c(OC3CC3)cc(C(=O)NCC(O)(c3cc(C(C)(C)O)c(Cl)c(-c4ccc(F)cc4)n3)C3CC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CFTR P13569 3/20 0.32
AR P10275 1/20 0.32
PIK3CA P42336 1/20 0.32
SSTR5 P35346 4/20 0.31
KCNH2 Q12809 1/20 0.31
GPR6 P46095 1/20 0.31
GABRA5 P31644 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MCHR1 Q99705 3/20 0.31
HTR2C P28335 2/20 0.31
ULK1 O75385 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
SCHEMBL25687285 1.00 CNR1 (0.34) CNR1CFTRARPIK3CASSTR5
SCHEMBL25232424 0.94 CFTR (0.33) CNR1CFTRARPIK3CASSTR5
SCHEMBL30006951 0.94 CFTR (0.33) CNR1CFTRARPIK3CASSTR5
SCHEMBL25687289 0.94 CFTR (0.33) CNR1CFTRARPIK3CASSTR5
SCHEMBL30007416 0.93 CNR1 (0.34) CNR1CFTRGABRA5MAPTMCHR1
SCHEMBL25687220 0.93 CNR1 (0.34) CNR1CFTRGABRA5MAPTMCHR1
SCHEMBL25279914 0.93 CNR1 (0.34) CNR1CFTRGABRA5MAPTMCHR1
SCHEMBL30007186 0.91 CFTR (0.33) CNR1CFTRAR
SCHEMBL23958749 0.91 CFTR (0.33) CNR1CFTRAR
SCHEMBL25687394 0.91 CFTR (0.33) CNR1CFTRAR

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed