SCHEMBL7414860

SCHEMBL7414860

NCC(=O)Oc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 3/20 0.38
P4HTM Q9NXG6 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL240908 0.85 TSHR (0.45) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL27811093 0.83 TSHR (0.41) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL38661115 0.82 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6245082 0.81 TSHR (0.40) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL4996914 0.81 ALDH1A1 (0.45) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL14501436 0.81 SMN1; SMN2 (0.44) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL27951130 0.81 TSHR (0.40) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL30571184 0.81 ALDH1A1 (0.45) TSHRCES2CES1SMN1; SMN2NPC1
SCHEMBL969754 0.80 TSHR (0.42) TSHRCES2CES1SMN1; SMN2NPC1
Bromide SCHEMBL28268585 0.80 ALDH1A1 (0.44) TSHRCES2CES1SMN1; SMN2NPC1

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
WO-2025141566-A1 PROCESS FOR PREPARING SUBSTITUTED BENZAMIDES ADAMA MAKHTESHIM LTD. (IL) 2025-07-03 WO disclosed
WO-2024249278-A2 MACROCYCLIC CHELATORS AND METHODS OF USE FOR THE SEPARATION OF RARE EARTH ELEMENTS CORNELL UNIVERSITY (US) 2024-12-05 WO disclosed
EP-3609887-A1 MESOIONIC IMIDAZOPYRIDINES FOR USE AS INSECTICIDES Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
CN-104531672-A Cultures with improved phage resistance DUPONT NUTRITION BIOSCI APS 2015-04-22 CN disclosed
CN-101688241-B Cultures with improved phage resistance DUPONT NUTRITION BIOSCI APS 2015-01-21 CN disclosed
EP-1242426-A1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS Merck & Co., Inc. (US) 2002-09-25 EP disclosed
WO-2001038332-A1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed
EP-0528854-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES. CARLSBERG AS (DK) 1993-03-03 EP disclosed
WO-1991016336-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG A/S (DK) 1991-10-31 WO disclosed