SCHEMBL7305712

SCHEMBL7305712

CCNC(=O)N(C)CC1(c2ccccc2)CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
OPRL1 P41146 4/20 0.53
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TACR1 P25103 4/20 0.40
KCNA3 P22001 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
F10 P00742 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 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
SCHEMBL374107 0.82 OPRM1 (0.46) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7305720 0.82 ALDH1A1 (0.48) OPRM1OPRL1KCNA3LMNASMN1; SMN2
SCHEMBL4630111 0.81 SLC6A2 (0.45) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7305853 0.81 OPRM1 (0.45) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7304290 0.80 NPFFR1 (0.53) OPRM1OPRL1KCNA3ALDH1A1
SCHEMBL4630753 0.80 OPRM1 (0.56) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL8064379 0.77 OPRM1 (0.47) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL8041537 0.76 SLC6A4 (0.69) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL4630733 0.75 OPRM1 (0.51) OPRM1OPRL1SLC6A4TACR1
Hydrochloric Acid SCHEMBL7749155 0.74 OPRM1 (0.50) OPRM1OPRL1SLC6A4TACR1

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