SCHEMBL4324766

SCHEMBL4324766

N[C@@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 12/20 1.00
SSTR3 P32745 13/20 0.67
SSTR5 P35346 9/20 0.67
SSTR4 P31391 6/20 0.67
SSTR2 P30874 6/20 0.66
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1E P28566 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6430387 0.78 SSTR1 (0.63) SSTR1SSTR3SSTR5SSTR4ADRB1
SCHEMBL1928394 0.78 SSTR1 (0.63) SSTR1SSTR3SSTR5SSTR4ADRB1
SCHEMBL4244351 0.78 SSTR1 (0.63) SSTR1SSTR3SSTR5SSTR4ADRB1
SCHEMBL27577264 0.77 SSTR1 (0.63) SSTR1SSTR3SSTR5SSTR4SSTR2
SCHEMBL1927159 0.77 SSTR1 (0.63) SSTR1SSTR3SSTR5SSTR4SSTR2
Hydrochloric Acid SCHEMBL6723717 0.77 SSTR1 (0.62) SSTR1SSTR3SSTR5SSTR4ADRB1
Hydrochloric Acid SCHEMBL27472186 0.77 SSTR1 (0.62) SSTR1SSTR3SSTR5SSTR4ADRB1
SCHEMBL1929179 0.76 SSTR1 (0.61) SSTR1SSTR3SSTR5SSTR4SSTR2
SCHEMBL1929174 0.76 SSTR1 (0.61) SSTR1SSTR3SSTR5SSTR4SSTR2
SCHEMBL1929176 0.76 SSTR1 (0.61) SSTR1SSTR3SSTR5SSTR4SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US claimed