SCHEMBL4630455

SCHEMBL4630455

CN(C)CCc1c[nH]c2ccc(-c3nccs3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.65
HTR1B P28222 10/20 0.65
HTR2C P28335 6/20 0.54
HTR1A P08908 5/20 0.54
HTR2A P28223 5/20 0.54
MPO P05164 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 4/20 0.52
HTR6 P50406 3/20 0.52
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR1E P28566 2/20 0.52
HTR1F P30939 2/20 0.52
HTR7 P34969 2/20 0.52
HTR3A P46098 2/20 0.52
HTR5A P47898 2/20 0.52
HTR4 Q13639 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL8686111 0.79 HTR1D (1.00) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL8475951 0.79 HTR1D (0.61) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL8688690 0.78 HTR1D (1.00) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL7331855 0.78 HTR1D (0.60) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL9094694 0.77 HTR1D (0.58) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL9096990 0.77 HTR1D (0.56) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL9094771 0.76 HTR1D (0.57) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL7323553 0.76 HTR1D (0.68) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL7324823 0.76 HTR1D (0.68) HTR1DHTR1BHTR2CHTR1AHTR2A
SCHEMBL8686553 0.76 HTR1D (1.00) HTR1DHTR1BHTR2CHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132463-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-10-29 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-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US 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
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
EP-0571471-B1 5-HETEROYL INDOLE DERIVATIVES PFIZER (US) 1996-03-06 EP disclosed
US-5409941-A 5-heteroyl indole derivatives PFIZER INC. (US) 1995-04-25 US disclosed
WO-1992013856-A1 5-HETEROYL INDOLE DERIVATIVES PFIZER INC. (US) 1992-08-20 WO disclosed