SCHEMBL20139664

SCHEMBL20139664

OC(c1ccc(C2CN(Cc3ccccc3)CC2Cc2cccc3ccccc23)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.69
NR1I2 O75469 1/20 0.49
CCR5 P51681 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL20140231 1.00 RORC (0.69) RORCNR1I2CCR5SIGMAR1
SCHEMBL20141240 0.86 RORC (0.64) RORCNR1I2CCR5
SCHEMBL23683614 0.82 RORC (0.72) RORCCCR5SIGMAR1
SCHEMBL23683607 0.82 RORC (0.72) RORCCCR5SIGMAR1
SCHEMBL20139548 0.82 RORC (0.72) RORCCCR5SIGMAR1
SCHEMBL23713088 0.82 RORC (1.00) RORCNR1I2
SCHEMBL23683609 0.80 RORC (0.60) RORCCCR5SIGMAR1
SCHEMBL20139553 0.80 RORC (0.60) RORCCCR5SIGMAR1
SCHEMBL20139695 0.77 RORC (0.60) RORCNR1I2
SCHEMBL23713089 0.77 RORC (1.00) RORC

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