SCHEMBL1650205

SCHEMBL1650205

CCC[N]CCc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.53
ADRA2B P18089 3/20 0.53
ADRA2C P18825 3/20 0.53
TAAR1 Q96RJ0 1/20 0.48
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL921584 0.79
SCHEMBL151464 0.79
Hydrochloric Acid SCHEMBL11105872 0.77
Ammonia Solution, Strong SCHEMBL28271490 0.77
SCHEMBL2734409 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2
SCHEMBL2734280 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2
SCHEMBL271466 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2
SCHEMBL271561 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2
SCHEMBL272288 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2
SCHEMBL271943 0.76 TAAR1 (0.57) ADRA2AADRA2BADRA2CTAAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
EP-1091946-B1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2004-03-17 EP disclosed
US-6291494-B1 2-aminothiazol-fused 2-aminoindans and 2-aminotetralins and their use ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1091946-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTRÖM, Hakan Vilhelm (NL) 2001-04-18 EP disclosed
WO-2000001680-A1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2000-01-13 WO disclosed