SCHEMBL6937661

SCHEMBL6937661

CC(C)N(C(=O)/C=C/c1cccs1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
HCAR2 Q8TDS4 1/20 0.57
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6937665 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL3164680 0.81 HCAR2 (0.62) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL28375604 0.81 LMNA (0.61) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL30266517 0.81 LMNA (0.61) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL18983992 0.79 HCAR2 (0.59) SMN1; SMN2HPGDHCAR2LMNAMAPT
SCHEMBL13100956 0.78 HCAR2 (0.62) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL28376870 0.76 MAPT (0.59) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL7446818 0.76 HCAR2 (0.51) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL369705 0.75 HCAR2 (0.69) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1
SCHEMBL1862223 0.75 HCAR2 (0.69) SMN1; SMN2HPGDHCAR2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed