SCHEMBL13772760

SCHEMBL13772760

CCCCCC(CCC)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.45
▸ DPP4 P27487 2/20 0.45
▸ RECQL P46063 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EED O75530 1/20 0.40
▸ RBBP4 Q09028 1/20 0.40
▸ SUZ12 Q15022 1/20 0.40
▸ EZH2 Q15910 1/20 0.40
▸ AEBP2 Q6ZN18 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL19286080 0.83 GPR119 (0.54) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL18124056 0.82 ALDH1A1 (0.47) HPGDEPHX1ALDH1A1MAPTRAB9A
SCHEMBL1880401 0.80 HPGD (0.51) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL21026298 0.79 PDE4D (0.45) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL7273992 0.79 HPGD (0.48) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL7512359 0.79 GPR119 (0.56) HPGDRECQLEPHX1GPR119
SCHEMBL31352385 0.78 HPGD (0.47) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL20128944 0.77 GPR119 (0.57) HPGDRECQLGPR119HTT
SCHEMBL31629738 0.77 HPGD (0.49) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL30981287 0.77 HPGD (0.49) HPGDDPP4RECQLEPHX1GPR119

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-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 — — EP disclosed
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