SCHEMBL7414698

SCHEMBL7414698

COC(=O)c1cc(Cl)cc2c1O[C@H]1CCC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.38
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
OPRK1 P41145 1/20 0.35
SERPINH1 P50454 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ABL1 P00519 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7414700 1.00 SLC6A3 (0.38) SLC6A3PTGDRPTGDR2OPRK1SERPINH1
SCHEMBL7413425 0.84 HSD17B10 (0.36) PTGDRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL7410883 0.84 HSD17B10 (0.36) PTGDRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL7424445 0.84 HSD17B10 (0.36) PTGDRPTGDR2KDM4EALDH1A1HPGD
SCHEMBL7317482 0.76 KDM4E (0.39) SLC6A3PTGDRPTGDR2OPRK1SERPINH1
SCHEMBL7318335 0.76 KDM4E (0.39) SLC6A3PTGDRPTGDR2OPRK1SERPINH1
SCHEMBL7317477 0.76 KDM4E (0.39) SLC6A3PTGDRPTGDR2OPRK1SERPINH1
SCHEMBL7311217 0.76 KDM4E (0.39) SLC6A3PTGDRPTGDR2OPRK1SERPINH1
SCHEMBL9509199 0.74 HTR3A (0.58) ALDH1A1
SCHEMBL9309022 0.71 OPRK1 (0.34) SLC6A3OPRK1SERPINH1SMN1; SMN2LMNA

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
US-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
EP-0559656-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-09-15 EP disclosed
WO-1992009592-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-06-11 WO disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed