SCHEMBL8959876

SCHEMBL8959876

CC(C)Cc1ccc(CCCCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.54
HTR1A P08908 4/20 0.52
HTR2A P28223 4/20 0.52
HTR2C P28335 3/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
HTR7 P34969 2/20 0.52
HTR2B P41595 2/20 0.52
HTR6 P50406 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1E P28566 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ALOX12 P18054 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL28237490 0.82 SLC6A4 (0.59) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL7001306 0.82 HTR2A (0.69) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL7004071 0.82 HTR2A (0.69) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL7889427 0.82 HTR2A (0.69) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL23317711 0.81 HTR2A (0.60) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL20103761 0.81 SLC6A4 (0.54) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL7004146 0.80 HTR2A (0.71) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL28236251 0.80 SLC6A4 (0.59) SLC6A4HTR1AHTR2AHTR2CHTR1D
SCHEMBL9289534 0.79 ALOX12 (0.43) SLC6A4HTR2AALOX12ALDH1A1KDM4E
SCHEMBL7388575 0.79 SLC6A4 (0.62) SLC6A4HTR1AHTR2AHTR2CHTR1D

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-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed