SCHEMBL9579341

SCHEMBL9579341

[CH2]CCNC(=O)CCCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
NAMPT P43490 2/20 0.41
FAAH O00519 1/20 0.41
GLA P06280 1/20 0.39
F2R P25116 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37

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
SCHEMBL5650328 0.81 ITGB3 (0.47) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL9579270 0.80 FAAH (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL18381443 0.79 ITGB3 (0.45) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL19051509 0.78 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL485662 0.77 FAAH (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL18402581 0.77 FAAH (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL20663510 0.77 TPSAB1 (0.43) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL20663511 0.76 ITGB3 (0.45) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL11317564 0.74 GNAI3 (0.43) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL11981542 0.74 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed