SCHEMBL20002399

SCHEMBL20002399

O=C(c1ccc2ncccc2c1)N1CCC([S+]([O-])c2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.50
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
LMNA P02545 1/20 0.47
RORC P51449 1/20 0.46
PDE2A O00408 1/20 0.45
CCR3 P51677 5/20 0.44
HTR3A P46098 1/20 0.43
MGLL Q99685 1/20 0.43
CAPN1 P07384 1/20 0.42

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
SCHEMBL20002981 0.80 KDM4E (0.55) NAMPTLMNA
SCHEMBL20003097 0.78 HSD11B1 (0.59) MGLL
SCHEMBL6981541 0.73 NPC1 (0.67) DPP4DPP8LMNAPDE2ACCR3
SCHEMBL16087283 0.73 L3MBTL1 (0.63) LMNARORC
SCHEMBL31428431 0.71 CAPN1 (0.55) NAMPTDPP4DPP8LMNAPDE2A
SCHEMBL16002936 0.71 PLK1 (0.55) DPP4DPP8LMNAPDE2ACCR3
SCHEMBL6986208 0.70 HPGD (0.71) DPP4DPP8LMNAPDE2A
SCHEMBL6251264 0.70 PRKAA2 (0.56) LMNACCR3
SCHEMBL13889099 0.70 L3MBTL3 (0.67) DPP4DPP8CCR3
SCHEMBL28256059 0.69 HPGD (0.57) DPP4DPP8LMNAPDE2ACCR3

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed