SCHEMBL4400648

SCHEMBL4400648

C=C(/N=C(\ON)N1CCC(CCCOc2ccc(C(=O)NC3CCOCC3)c(C)c2)CC1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.43
▸ BMPR1B O00238 1/20 0.37
▸ BMPR1A P36894 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ TTK P33981 4/20 0.35
▸ FKBP1A P62942 1/20 0.35

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
SCHEMBL11918141 0.76 ITGB3 (0.44) GPR119HRH3TTK
SCHEMBL1838268 0.75 GPR119 (0.48) GPR119BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13162332 0.73 KMT2A (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13534689 0.72 GPR119 (0.49) GPR119HRH3
SCHEMBL2394333 0.72 GPR119 (0.44) GPR119BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4403111 0.72 ITGB3 (0.42) GPR119
SCHEMBL2214693 0.71 GPR119 (0.48) GPR119BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2392621 0.71 GPR119 (0.47) GPR119BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2392624 0.71 GPR119 (0.47) GPR119BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13534631 0.70 GPR119 (0.62) GPR119BMPR1BBMPR1ATGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321308-B9 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-08-08 — — EP disclosed
EP-2321308-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 — — EP disclosed
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