SCHEMBL7345447

SCHEMBL7345447

N=NC1CCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 2/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2216881 1.00
SCHEMBL15829236 1.00 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL18869274 1.00 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL10873364 1.00 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL16007530 1.00 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL11111508 1.00 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL6676683 1.00
Water SCHEMBL2965632 0.97 EPHX1 (0.43) EPHX1HIF1AALDH1A1SIGMAR1
SCHEMBL9351268 0.96
Water SCHEMBL2318146 0.94 EPHX1 (0.41) EPHX1HIF1AALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655056-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1995-05-31 EP claimed
US-5304552-A Renin inhibitors G.D. SEARLE & CO. (US) 1994-04-19 US claimed
WO-1994004495-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
US-5780494-A RENIN INHIBITOR G. D. SEARLE & CO. (US) 1998-07-14 US disclosed
EP-0655056-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1995-05-31 EP disclosed
US-5385898-A Hypertensive agents; cardiovascular disorders; renin inhibitors; glaucoma G.D. SEARLE & CO. (US) 1995-01-31 US disclosed
US-5304552-A Renin inhibitors G.D. SEARLE & CO. (US) 1994-04-19 US disclosed
WO-1994004495-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
US-5212185-A Enzyme inhibitors G. D. SEARLE & CO. (US) 1993-05-18 US disclosed