SCHEMBL30006951

SCHEMBL30006951

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
AR P10275 1/20 0.33
SSTR5 P35346 3/20 0.32
KCNH2 Q12809 1/20 0.32
GABRA5 P31644 2/20 0.32
CNR1 P21554 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MCHR1 Q99705 3/20 0.32
HTR2C P28335 2/20 0.32
HPGDS O60760 1/20 0.31
ULK1 O75385 1/20 0.31
ENPP2 Q13822 1/20 0.31
PIK3CA P42336 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL25687289 1.00 CFTR (0.33) CFTRARSSTR5KCNH2GABRA5
SCHEMBL25232424 1.00 CFTR (0.33) CFTRARSSTR5KCNH2GABRA5
SCHEMBL25687285 0.94 CNR1 (0.34) CFTRARSSTR5KCNH2GABRA5
SCHEMBL25687293 0.94 POLB (0.34) SSTR5KCNH2CNR1MCHR1ENPP2
SCHEMBL30006884 0.94 CNR1 (0.34) CFTRARSSTR5KCNH2GABRA5
SCHEMBL23958649 0.94 POLB (0.34) SSTR5KCNH2CNR1MCHR1ENPP2
SCHEMBL30007202 0.94 POLB (0.34) SSTR5KCNH2CNR1MCHR1ENPP2
SCHEMBL23958645 0.93 GABRA5 (0.36) ARGABRA5CNR1ENPP2CYP2C9
SCHEMBL30007230 0.93 GABRA5 (0.36) ARGABRA5CNR1ENPP2CYP2C9
SCHEMBL25686195 0.93 GABRA5 (0.36) ARGABRA5CNR1ENPP2CYP2C9

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-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
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