SCHEMBL5202338

SCHEMBL5202338

Cn1cc(C2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)C2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
RORC P51449 7/20 0.45
HTR6 P50406 2/20 0.43
TPSAB1 Q15661 1/20 0.43
SPR P35270 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4859112 0.84 RORC (0.47) GFERRORCHTR6TPSAB1SPR
SCHEMBL5201722 0.81 HTR2B (0.53) RORCUSP2ALDH1A1POLBNPC1
SCHEMBL5202345 0.81 HTR6 (0.41) GFERRORCHTR6USP2ALDH1A1
SCHEMBL5205864 0.78 RORC (0.46) RORCSPRUSP2ALDH1A1HSD11B1
SCHEMBL5937364 0.78 ALDH1A1 (0.57) RORCTPSAB1SPRUSP2ALDH1A1
SCHEMBL5705162 0.78 RORC (0.51) RORCTPSAB1SPRUSP2ALDH1A1
SCHEMBL4859672 0.77 HSD11B1 (0.52) GFERTPSAB1SPRHSD11B1HCRTR1
SCHEMBL5203887 0.76 ALDH1A1 (0.52) GFERTPSAB1SPRALDH1A1HSD11B1
SCHEMBL4858050 0.76 RAB9A (0.62) RORCALDH1A1POLBNPC1RAB9A
SCHEMBL18701720 0.75 RORC (0.49) RORCTPSAB1SPRUSP2ALDH1A1

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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed