SCHEMBL7304297

SCHEMBL7304297

CCN(C)C(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.59
NPFFR2 Q9Y5X5 3/20 0.59
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CACNA1G O43497 5/20 0.48
OPRL1 P41146 1/20 0.47
POLB P06746 1/20 0.46
CYP2D6 P10635 2/20 0.45
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7304290 0.84 NPFFR1 (0.53) NPFFR1NPFFR2BCHEACHECACNA1G
SCHEMBL3937184 0.83 NPFFR1 (0.66) NPFFR1NPFFR2CACNA1GOPRL1POLB
SCHEMBL2842737 0.83 NPFFR1 (0.69) NPFFR1NPFFR2CACNA1GOPRL1POLB
SCHEMBL2472050 0.80 LMNA (0.67) NPFFR1NPFFR2ACHECACNA1GOPRL1
SCHEMBL7305720 0.80 ALDH1A1 (0.48) OPRL1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL27566058 0.78 NPFFR1 (0.60) NPFFR1NPFFR2CACNA1GOPRL1POLB
SCHEMBL7306023 0.78 CACNA1G (0.52) NPFFR1NPFFR2BCHEACHECACNA1G
SCHEMBL13897424 0.78 NPFFR1 (0.62) NPFFR1NPFFR2CACNA1GOPRL1POLB
SCHEMBL4631201 0.77 BCHE (0.52) NPFFR1NPFFR2BCHEACHECACNA1G
SCHEMBL13320953 0.77 NPFFR1 (0.62) NPFFR1NPFFR2CACNA1GOPRL1POLB

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-6294537-B1 NEUROKININS USED FOR TREATMENT OF DISEASES SANOFI-SYNTHELABO (FR) 2001-09-25 US disclosed
US-6124316-A ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2000-09-26 US disclosed
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed