SCHEMBL20003069

SCHEMBL20003069

Cc1cc(SC2CCN(C(=O)C3CCC(C(=O)O)CC3)C2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.42
KMT2A Q03164 2/20 0.41
MTNR1B P49286 1/20 0.36
PIK3CD O00329 1/20 0.36
FPR1 P21462 2/20 0.35
FPR2 P25090 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL20002683 0.86 KMT2A (0.39) RORCKMT2AMTNR1BPIK3CDFPR1
SCHEMBL20002736 0.76 RORC (0.36) RORCKMT2A
SCHEMBL20003061 0.76 RORC (0.54) RORC
SCHEMBL20003010 0.75 RORC (0.43) RORCMTNR1BFPR1FPR2ALDH1A1
SCHEMBL20002255 0.74 CCR5 (0.49) RORCKMT2A
SCHEMBL20002972 0.74 L3MBTL1 (0.41) RORCKMT2AMAPTNOTUMGRIN2B
SCHEMBL20002719 0.73 HSD11B1 (0.48) KMT2AALDH1A1
SCHEMBL20003196 0.73 HSD11B1 (0.48) KMT2AALDH1A1
SCHEMBL20002297 0.72 NOTUM (0.47) RORCKMT2AMAPTNOTUMGRIN2B
SCHEMBL20003024 0.70 NOTUM (0.44) KMT2AMAPTKDM4EALDH1A1NOTUM

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