SCHEMBL20002972

SCHEMBL20002972

O=C(O)C1CCCC(C(=O)N2CCC(Sc3ccc(F)cc3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.40
RORC P51449 3/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SLC6A1 P30531 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL20003196 0.87 HSD11B1 (0.48) L3MBTL1KMT2AHSD11B1
SCHEMBL20002719 0.87 HSD11B1 (0.48) L3MBTL1KMT2AHSD11B1
SCHEMBL20002297 0.81 NOTUM (0.47) L3MBTL1MAPTNOTUMRORCKMT2A
SCHEMBL20003024 0.81 NOTUM (0.44) L3MBTL1MAPTNOTUMKMT2AHSD11B1
SCHEMBL20002255 0.80 CCR5 (0.49) RORCKMT2AHSD11B1
SCHEMBL4107783 0.75 ALDH1A1 (0.42) MAPTNOTUMKMT2AGRIN1GRIN2B
SCHEMBL20003224 0.74 KMT2A (0.43) KMT2AHSD11B1
SCHEMBL20002886 0.74 KMT2A (0.40) RORCKMT2AHSD11B1GRIN1GRIN2B
SCHEMBL4097076 0.74 CCR5 (0.42) L3MBTL1NOTUMKMT2AHSD11B1GRIN1
SCHEMBL20003069 0.74 RORC (0.42) MAPTNOTUMRORCKMT2AGRIN2B

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