SCHEMBL20002136

SCHEMBL20002136

CC(C)(C)OC(=O)N1CCC(Sc2ccc(F)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
MMP13 P45452 1/20 0.45
POLB P06746 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP30 Q70CQ3 1/20 0.42
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 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
SCHEMBL4768413 0.92 GPR119 (0.54) GPR119MEN1KMT2AMMP13POLB
SCHEMBL23204176 0.91 POLB (0.46) GPR119MEN1KMT2AHDAC1HDAC2
SCHEMBL21426511 0.91 POLB (0.46) GPR119MEN1KMT2AHDAC1HDAC2
SCHEMBL16422836 0.89 HDAC1 (0.47) GPR119MEN1KMT2AHDAC1HDAC2
SCHEMBL6881798 0.88 GPR119 (0.50) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL6881830 0.88 GPR119 (0.50) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL6881795 0.88 GPR119 (0.50) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL1881361 0.87 GPR119 (0.49) GPR119PTPN2PTPN1PTPN6USP30
SCHEMBL21425790 0.84 USP2 (0.47) GPR119MEN1KMT2AHDAC1HDAC2
SCHEMBL21887032 0.84 GPR119 (0.56) GPR119MEN1KMT2A

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