SCHEMBL4601274

SCHEMBL4601274

CC(=O)N1c2ccc(N)cc2C(C)(c2ccc(OCC(=O)NCc3ccco3)cc2)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FSHR P23945 9/20 0.56
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3391454 0.87 FSHR (0.56) FSHRNPSR1TSHR
SCHEMBL3391468 0.87 FSHR (0.65) FSHRHPGDNPSR1TSHR
SCHEMBL3398312 0.84 FSHR (0.55) FSHRALDH1A1HPGDNPSR1POLB
SCHEMBL3398323 0.84 FSHR (0.64) FSHRNPSR1TSHR
SCHEMBL3394313 0.83 FSHR (0.58) FSHRHPGDNPSR1TSHR
SCHEMBL3393370 0.83 FSHR (0.58) FSHRNPSR1HTTTSHR
SCHEMBL4601275 0.82 FSHR (0.57) FSHRNPSR1TSHR
SCHEMBL3393820 0.81 FSHR (0.61) FSHRNPSR1TSHR
SCHEMBL4600825 0.81 FSHR (0.68) FSHRMAPTNPSR1TSHR
SCHEMBL3433337 0.77 FSHR (0.68) FSHRMAPTNPSR1TSHR

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
EP-1578727-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS FSH RECEPTOR MODULATORS ORGANON NV (NL) 2008-04-16 EP disclosed