SCHEMBL5865665

SCHEMBL5865665

O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc(Br)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.71
HTR6 P50406 2/20 0.35
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5865668 1.00 AR (0.71) ARHTR6HTTMEN1KMT2A
SCHEMBL4040774 1.00 AR (0.71) ARHTR6HTTMEN1KMT2A
SCHEMBL4040772 1.00 AR (0.71) ARHTR6HTTMEN1KMT2A
SCHEMBL7211132 1.00 AR (0.71) ARHTR6HTTMEN1KMT2A
SCHEMBL5865677 0.85 AR (0.71) AR
SCHEMBL5865675 0.85 AR (0.71) AR
SCHEMBL6211148 0.85 AR (0.71) AR
SCHEMBL5865672 0.85 AR (0.71) AR
SCHEMBL13964673 0.85 AR (0.71) AR
SCHEMBL13964575 0.85 AR (0.71) AR

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
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed