SCHEMBL1389030

SCHEMBL1389030

C=CCN=C([NH])NCC=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4698983 1.00 TSHR (0.40) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL7759973 0.76 ALDH1A1 (0.41) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL906226 0.73 ALDH1A1 (0.40) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL4698991 0.73 ALDH1A1 (0.48) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
Iodide SCHEMBL8715123 0.71 ALDH1A1 (0.37) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
Iodide SCHEMBL8715117 0.71 ALDH1A1 (0.37) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL44604 0.70
SCHEMBL9535834 0.70 ALDH1A1 (0.59) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL10548671 0.70
SCHEMBL10553707 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US claimed
JP-H08505862-A 1996-06-25 JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 EP disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 EP disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed