SCHEMBL7867296

SCHEMBL7867296

CCOc1cccc2c(CC(C)N)c[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.65
HTR2A P28223 5/20 0.54
HTR2C P28335 4/20 0.54
HTR1A P08908 2/20 0.54
HTR2B P41595 2/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1E P28566 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ADRB3 P13945 1/20 0.53
LTA4H P09960 1/20 0.47
PLA2G2A P14555 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL7870399 0.85 SOS2 (0.68) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL14527119 0.84 SOS2 (0.59) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL5648360 0.84 LTA4H (0.69) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL14527174 0.84 SOS2 (0.59) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL5481516 0.84 LTA4H (0.69) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL14527120 0.84 SOS2 (0.59) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL5480477 0.83 TSHR (0.53) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL5480473 0.83 TSHR (0.53) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL31688533 0.83 KMT2A (0.56) SOS2HTR2AHTR2CHTR1AHTR2B
SCHEMBL14527122 0.83 SOS2 (0.58) SOS2HTR2AHTR2CHTR1AHTR2B

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
EP-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 EP disclosed
US-5817689-A ADRENERGIC RECEPTOR-STIMULATING AGENT, OBESITY, DIABETES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0801059-A1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-10-15 EP disclosed