SCHEMBL7305547

SCHEMBL7305547

O=C(NCC(CCCOC1CCCCO1)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 8/20 0.42
SLC6A3 Q01959 5/20 0.42
SSTR3 P32745 1/20 0.42
TACR2 P21452 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5866431 0.95 MCHR1 (0.44) MEN1KMT2AMCHR1SLC6A3SSTR3
SCHEMBL7306485 0.90 SLC6A3 (0.45) MEN1KMT2AMCHR1SLC6A3TACR2
SCHEMBL7750691 0.84 SLC6A3 (0.46) MEN1KMT2AMCHR1SLC6A3SLC6A2
SCHEMBL7305694 0.83 SLC6A3 (0.44) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7307778 0.83 TACR2 (0.59) TACR2
SCHEMBL8364709 0.82 MEN1 (0.40) MEN1KMT2AMCHR1ATMHPGD
SCHEMBL9317353 0.81 HPGD (0.43) MCHR1SLC6A3HPGDSMN1; SMN2
SCHEMBL8782131 0.81 SLC6A3 (0.42) MCHR1SLC6A3
SCHEMBL8838798 0.80 MCHR1 (0.40) MCHR1SLC6A3HPGD
SCHEMBL7305306 0.79 SLC6A3 (0.41) MEN1KMT2ASLC6A3SLC6A2SLC6A4

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