SCHEMBL4367941

SCHEMBL4367941

CC(=O)N1c2cc(O)c(NC(=O)c3cc(Br)cc(Br)c3)cc2C(C)(c2ccccc2)CC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FSHR P23945 18/20 0.64
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.53
ADRB2 P07550 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL3529295 0.90 FSHR (0.68) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3523939 0.89 FSHR (0.62) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL2194197 0.88 FSHR (0.82) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3527025 0.85 FSHR (0.56) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3524673 0.85 FSHR (0.58) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323381 0.85 FSHR (0.77) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3526204 0.84 FSHR (0.56) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL3522863 0.82 FSHR (0.58) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL4372493 0.81 FSHR (0.53) FSHRTSHRMEN1ADRB2KMT2A
SCHEMBL1323786 0.78 FSHR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed