SCHEMBL5314576

SCHEMBL5314576

Cc1cc(N2CCC(CC(=O)O)CC2)c2c(C)cn(-c3ccc(Cl)c(Cl)c3Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.43
RORC P51449 4/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1763057 0.85 FFAR4 (0.41) FFAR4
SCHEMBL1762803 0.84 FFAR4 (0.43) FFAR4
SCHEMBL1762816 0.83 FFAR4 (0.39) FFAR4KDM4ENPSR1USP2HPGD
SCHEMBL1762558 0.83 FFAR4 (0.40) FFAR4
SCHEMBL1762484 0.81 FFAR4 (0.40) FFAR4
SCHEMBL1762841 0.80 CRHR1 (0.41) FFAR4
SCHEMBL1762498 0.80 FFAR4 (0.41) FFAR4
SCHEMBL14101855 0.80 FFAR4 (0.41) FFAR4
SCHEMBL1762753 0.79 FFAR4 (0.41) FFAR4
Hydrochloric Acid SCHEMBL1762725 0.79 FFAR4 (0.41) FFAR4

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-1758903-A1 PYRROLOPYRAMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-03-07 EP disclosed
WO-2006001511-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed