SCHEMBL20149113

SCHEMBL20149113

CC(=O)N1CCN(C(=O)N2CCC([S+]([O-])c3ccc(F)c(Br)c3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.39
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 1/20 0.33
OPRL1 P41146 1/20 0.33
TACR1 P25103 2/20 0.33
FPR1 P21462 1/20 0.33
TACR3 P29371 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GPR174 Q9BXC1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
QDPR P09417 1/20 0.32

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
SCHEMBL20002280 0.84 TACR1 (0.40) RORCDPP4DPP7TACR1TACR3
SCHEMBL20002902 0.76 ALDH1A1 (0.47) RORCMEN1KMT2AALDH1A1
SCHEMBL20002167 0.75 KDM1A (0.40) RORCALDH1A1KDM1AMAOB
SCHEMBL20002664 0.72 TSHR (0.41) KMT2A
SCHEMBL20002286 0.72 TACR1 (0.45) RORCTACR1TACR3
SCHEMBL20384198 0.72 MEN1 (0.36) IDO1MEN1KMT2AALDH1A1KDM1A
SCHEMBL20002429 0.71 RORC (0.41) RORCTACR1
SCHEMBL20002969 0.71 NOTUM (0.45) RORCKMT2AALDH1A1
SCHEMBL20002669 0.71 NOTUM (0.45) RORCKMT2AALDH1A1
SCHEMBL20003049 0.71 AKR1C3 (0.51) MEN1KMT2AALDH1A1

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
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed