SCHEMBL7801389

SCHEMBL7801389

OCc1ccc2cc(F)c(Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
S1PR4 O95977 2/20 0.38
PDE10A Q9Y233 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
TERT O14746 1/20 0.33
MCHR1 Q99705 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2B P41595 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
NOTUM Q6P988 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL4059987 0.83 CCR1 (0.42) CCR1PDE10AMAPTTERTHTR2A
SCHEMBL7809623 0.74 S1PR4 (0.49) CCR1S1PR4PDE10AMCHR1NOTUM
SCHEMBL7808283 0.74 CCR1 (0.48) CCR1PDE10AKDM4ECYP1A2NOTUM
SCHEMBL7808149 0.73 HDAC1 (0.49) CCR1S1PR4PDE10AALDH1A1MCHR1
SCHEMBL2567212 0.73 BACE1 (0.53) CCR1PDE10AKDM4EALDH1A1MAPT
SCHEMBL4052149 0.73 CYP1A2 (0.48) KDM4EMAPTCYP1A2
SCHEMBL16822493 0.71 CCR1 (0.48) CCR1S1PR4KDM4EMAPTNOTUM
SCHEMBL6089466 0.71 TERT (0.37) PDE10AALDH1A1TERTCYSLTR1
SCHEMBL12517340 0.71 CCR1 (0.48) CCR1S1PR4PDE10AKDM4EALDH1A1
SCHEMBL7806544 0.70 CCR1 (0.44) CCR1S1PR4KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
CN-1046279-C Quinoline derivative UBE INDUSTRIES (JP) 1999-11-10 CN disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed