SCHEMBL20139896

SCHEMBL20139896

Fc1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2Cc2ccccc2)cc(F)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.60
CCR5 P51681 5/20 0.47
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GBA1 P04062 1/20 0.39
FUCA1 P04066 2/20 0.38
DPP4 P27487 1/20 0.38
CCR3 P51677 1/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL20139701 0.86 RORC (0.65) RORCCCR5GBA1PAX8
SCHEMBL20139698 0.86 RORC (0.65) RORCCCR5GBA1PAX8
SCHEMBL20140255 0.75 RORC (1.00) RORCCCR5DRD2DRD3GBA1
SCHEMBL20140253 0.75 RORC (1.00) RORCCCR5DRD2DRD3GBA1
SCHEMBL23683609 0.74 RORC (0.60) RORCCCR5
SCHEMBL20139553 0.74 RORC (0.60) RORCCCR5
SCHEMBL31412702 0.73 GBA1 (0.52) RORCCCR5DRD2DRD3GBA1
SCHEMBL1439367 0.72 RORC (0.49) RORCCCR5DRD2DRD3GBA1
SCHEMBL1439546 0.72 RORC (0.49) RORCCCR5DRD2DRD3GBA1
SCHEMBL1937578 0.72 RORC (0.49) RORCCCR5DRD2DRD3GBA1

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