SCHEMBL9329334

SCHEMBL9329334

OC(CON=Cc1ccccc1)CN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP2D6 P10635 2/20 0.58
HIF1A Q16665 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ABCB1 P08183 12/20 0.55
ATM Q13315 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACE2 Q9BYF1 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL28355080 0.85 TAAR1 (0.45) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL11247700 0.85 TSHR (0.57) TSHRCYP2D6KDM4EATM
Hydrochloric Acid SCHEMBL11247706 0.85 TSHR (0.57) TSHRCYP2D6KDM4EATM
SCHEMBL22518483 0.83 CYP2D6 (0.43) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL11252787 0.83 SLC18A3 (0.56)
Hydrochloric Acid SCHEMBL11252780 0.83 SLC18A3 (0.56)
SCHEMBL6549925 0.80 ABCB1 (0.57) TSHRCYP2D6HIF1AKDM4EABCB1
SCHEMBL6549930 0.80 ABCB1 (0.57) TSHRCYP2D6HIF1AKDM4EABCB1
SCHEMBL6548872 0.79 ABCB1 (0.55) TSHRCYP2D6HIF1AKDM4EABCB1
Hydrochloric Acid SCHEMBL11266253 0.78 MAPT (0.64) TSHRCYP2D6KDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328906-A 0-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same BIOREX KUTATO-FEJLESZTO KFT (HU) 1994-07-12 US disclosed
US-5296606-A O-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same BIOREX KUTATO-FEJLESZTO KFT (HU) 1994-03-22 US disclosed
EP-0417210-B1 NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1994-03-09 EP disclosed
US-5147879-A O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATO-FEJLESZTO KFT (HU) 1992-09-15 US disclosed
WO-1990004584-A1 NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATÓ FEJLESZTO^' KFT. (HU) 1990-05-03 WO disclosed