SCHEMBL6934974

SCHEMBL6934974

CC(C)N(C(=O)/C=C(\c1ccccc1)c1ccccc1F)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
SLC6A1 P30531 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TBXAS1 P24557 1/20 0.39
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6934845 0.83 MAPT (0.46) LTB4RLTB4R2KMT2ARAB9ASMN1; SMN2
SCHEMBL6934690 0.83 MAPT (0.46) LTB4RLTB4R2KMT2ARAB9ASMN1; SMN2
SCHEMBL6937344 0.82 SLC6A1 (0.44) LTB4RLTB4R2SLC6A1POLBSMN1; SMN2
SCHEMBL6937348 0.82 SLC6A1 (0.44) LTB4RLTB4R2SLC6A1POLBSMN1; SMN2
SCHEMBL10355817 0.76 CSNK2A1 (0.45) NPSR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL10316746 0.76 CSNK2A1 (0.45) NPSR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL10316745 0.76 CSNK2A1 (0.45) NPSR1LTB4RLTB4R2MEN1KMT2A
SCHEMBL17802368 0.75 KMT2A (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL15547428 0.74 HNF4A (0.39) LTB4RLTB4R2MEN1KMT2ARAB9A
SCHEMBL15547430 0.74 HNF4A (0.39) LTB4RLTB4R2MEN1KMT2ARAB9A

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