SCHEMBL8105710

SCHEMBL8105710

COc1ccc2[nH]cc(C3CC[N]C(N4CCCCC4)C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
HTR2A P28223 3/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A4 P31645 6/20 0.47
HTR1A P08908 5/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 1/20 0.44
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL8096606 0.86 SLC6A4 (0.50) HTR2ASLC6A4HTR1A
SCHEMBL8149530 0.84 SLC6A4 (0.51) SLC6A4HTR1AHTR6
SCHEMBL8103912 0.84 CYP1A2 (0.54) MTNR1AMTNR1BHTR2ASLC6A4HTR1A
SCHEMBL8109654 0.84 SLC6A4 (0.68) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL8103893 0.81 SLC6A4 (0.72) HTR2ASLC6A4HTR1AHTR6
SCHEMBL8103889 0.78 SLC6A4 (0.51) SLC6A4HTR1A
SCHEMBL4671021 0.77 HTR2A (0.59) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL18474137 0.77 MTNR1A (0.65) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL4671600 0.74 SLC6A4 (0.49) MTNR1AMTNR1BHTR2ASLC6A4HTR1A
SCHEMBL7710792 0.74 HTR1D (0.67) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed