SCHEMBL4601614

SCHEMBL4601614

CC(=O)N1c2ccc(NC(=O)c3ccccc3Cl)cc2C(C)(c2ccc(OCCN3CCOCC3)cc2)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FSHR P23945 15/20 0.56
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL3394638 0.94 FSHR (0.53) FSHRBRAFMAPK14
SCHEMBL3391456 0.92 FSHR (0.53) FSHRBRAFMAPK14
SCHEMBL3394823 0.90 FSHR (0.65) FSHR
SCHEMBL3396761 0.88 FSHR (0.51) FSHRRAB9A
SCHEMBL3393357 0.86 FSHR (0.56) FSHR
SCHEMBL3398201 0.85 FSHR (0.59) FSHR
SCHEMBL3396056 0.85 FSHR (0.55) FSHR
SCHEMBL3425195 0.85 FSHR (0.58) FSHR
SCHEMBL3396766 0.84 FSHR (0.58) FSHRRAB9AHSD17B10
SCHEMBL3426374 0.84 FSHR (0.49) FSHR

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