SCHEMBL20139670

SCHEMBL20139670

O=C(c1cccc2ccccc12)C1CN(Cc2ccccc2)CC1c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.71
DRD4 P21917 5/20 0.51
BACE1 P56817 1/20 0.46
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL20141807 1.00 RORC (0.71) RORCDRD4BACE1CNR2MEN1
SCHEMBL20139629 0.83 RORC (1.00) RORCMEN1KMT2A
SCHEMBL20139637 0.83 RORC (1.00) RORCMEN1KMT2A
SCHEMBL23951506 0.81 RORC (0.51) RORCDRD4
SCHEMBL23924367 0.81 RORC (0.51) RORCDRD4
SCHEMBL23924365 0.81 RORC (0.51) RORCDRD4
SCHEMBL29900609 0.81 RORC (0.51) RORCDRD4
SCHEMBL2197505 0.75 RORC (0.68) RORC
SCHEMBL23683607 0.75 RORC (0.72) RORCDRD4BACE1CCR5
SCHEMBL23683614 0.75 RORC (0.72) RORCDRD4BACE1CCR5

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-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed