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SCHEMBL5727768

SCHEMBL5727768

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

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FSHR P23945 17/20 0.86
▸ TSHR P16473 1/20 0.63
▸ MEN1 O00255 1/20 0.60
▸ ADRB2 P07550 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MAPT P10636 1/20 0.48

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
SCHEMBL3396723 0.94 FSHR (0.80) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322857 0.93 FSHR (0.78) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL5728539 0.93 FSHR (0.78) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1322285 0.92 FSHR (1.00) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3392106 0.91 FSHR (0.75) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL4600825 0.86 FSHR (0.68) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3433337 0.86 FSHR (0.68) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3393050 0.85 FSHR (0.67) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL17209734 0.84 FSHR (0.66) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3393047 0.84 FSHR (0.66) FSHRTSHRMEN1ADRB2KMT2A

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-1406628-B1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL NV (NL) 2006-03-08 — — EP claimed
EP-1406628-B1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL NV (NL) 2006-03-08 — — EP disclosed