SCHEMBL2716615

SCHEMBL2716615

O=C(O)N1CCC(c2nc(COc3ccc(CC4COS(=O)OC4)cc3)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
F2RL3 Q96RI0 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2718799 0.88 GPR119 (0.62) GPR119F2RL3
SCHEMBL2718798 0.88 GPR119 (0.62) GPR119F2RL3
SCHEMBL3697644 0.88 GPR119 (0.62) GPR119F2RL3
SCHEMBL2716584 0.88 GPR119 (0.46) GPR119F2RL3LMNAMEN1KMT2A
SCHEMBL2716582 0.88 GPR119 (0.46) GPR119F2RL3LMNAMEN1KMT2A
SCHEMBL15234116 0.86 GPR119 (0.42) GPR119F2RL3LMNAMEN1KMT2A
SCHEMBL15234113 0.86 GPR119 (0.42) GPR119F2RL3LMNAMEN1KMT2A
SCHEMBL15234114 0.86 GPR119 (0.42) GPR119F2RL3LMNAMEN1KMT2A
SCHEMBL2717164 0.86 GPR119 (0.44) GPR119F2RL3LMNAPPARGPPARA
SCHEMBL2732464 0.78 LTB4R (0.41) LMNAMEN1KMT2APOLBFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP claimed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO claimed
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO disclosed