SCHEMBL30007076

SCHEMBL30007076

Cc1cnc2c(OC3CC3)cc(C(=O)NCC(O)(c3nc(-c4ccc(F)cc4)c(Cl)c(C(C)(C)O)c3F)C(F)(F)F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.32
KCNH2 Q12809 1/20 0.32
CFTR P13569 3/20 0.32
GABRA5 P31644 3/20 0.32
AR P10275 1/20 0.31
GPR6 P46095 1/20 0.31
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PIK3CA P42336 1/20 0.30
KMO O15229 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
SCHEMBL23958696 1.00 SSTR5 (0.32) SSTR5KCNH2CFTRGABRA5AR
SCHEMBL25687279 1.00 SSTR5 (0.32) SSTR5KCNH2CFTRGABRA5AR
SCHEMBL25687276 0.95 CFTR (0.34) SSTR5KCNH2CFTRGABRA5AR
SCHEMBL30006727 0.92 CFTR (0.33) SSTR5CFTRAR
SCHEMBL25687390 0.92 CFTR (0.33) SSTR5CFTRAR
SCHEMBL30006889 0.91 CFTR (0.36) CFTRGABRA5MAPT
SCHEMBL25687212 0.91 CFTR (0.36) CFTRGABRA5MAPT
SCHEMBL25687266 0.87 CFTR (0.34) SSTR5KCNH2CFTRGABRA5AR
SCHEMBL25280037 0.87 CFTR (0.34) SSTR5KCNH2CFTRGABRA5AR
SCHEMBL25687387 0.86 CFTR (0.34) CFTRGABRA5ARGPR6LMNA

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