SCHEMBL8021641

SCHEMBL8021641

COc1ccc2scc(CCCN)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.59
MTNR1B P49286 5/20 0.59
HTR2A P28223 2/20 0.43
HTR1D P28221 2/20 0.43
HTR6 P50406 2/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR4 Q13639 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ADRA1A P35348 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8586269 0.91 MTNR1A (0.61) MTNR1AMTNR1BHTR2AHTR1DHTR6
SCHEMBL17785108 0.82 MTNR1A (0.65) MTNR1AMTNR1BMAPTCYP2A6MEN1
SCHEMBL19611336 0.82 MTNR1A (0.61) MTNR1AMTNR1BHTR2AHTR1DHTR6
SCHEMBL8030991 0.80 CA2 (0.54) MTNR1AMTNR1BHTR2AHTR1DMAPT
SCHEMBL25030227 0.79 MTNR1A (0.70) MTNR1AMTNR1BHTR2AHTR6
SCHEMBL25029849 0.79 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR1DHTR6
SCHEMBL8587828 0.79 TAAR1 (0.53) MTNR1AMTNR1BHTR2AHTR1DHTR6
SCHEMBL8617176 0.79 MTNR1A (0.54) MTNR1AMTNR1BMAPTCYP2A6BACE1
SCHEMBL6151456 0.78 MTNR1A (0.60) MTNR1AMTNR1BMAPTCYP2A6MEN1
SCHEMBL7340610 0.78 MTNR1A (0.57) MTNR1AMTNR1BMAPTTSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed