SCHEMBL6958317

SCHEMBL6958317

CN(Cc1ccc2cc(CO)cnc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GBA1 P04062 1/20 0.38
DHFR P00374 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CFTR P13569 1/20 0.36
IP6K1 Q92551 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL6958945 0.80 CRHBP (0.42) CRHBPCRHR2GBA1DHFRTAAR1
SCHEMBL6960807 0.78 HPGDS (0.48) CRHBPCRHR2CFTRHDAC3HDAC1
SCHEMBL6964865 0.77 PPARG (0.49)
SCHEMBL5403123 0.76 CRHBP (0.57) CRHBPCRHR2TAAR1EGFRCSF1R
SCHEMBL8825047 0.74 GSK3A (0.48) MEN1KMT2AIP6K1HDAC1ITK
SCHEMBL5759772 0.74 MCHR1 (0.45) DHFR
SCHEMBL701411 0.72 ALDH1A1 (0.53) KMT2ACFTR
SCHEMBL30831434 0.72 ALDH1A1 (0.53) KMT2ACFTR
SCHEMBL553758 0.71 PDE10A (0.49) KMT2A
Bromide SCHEMBL9399281 0.71 ALDH1A1 (0.51) KMT2ACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed