SCHEMBL6937348

SCHEMBL6937348

CC(C)N(C(=O)C=C(c1ccccc1)c1ccccc1C(F)(F)F)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
HDAC8 Q9BY41 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SLC6A3 Q01959 1/20 0.39
MLYCD O95822 1/20 0.39
POLQ O75417 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 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
SCHEMBL6937344 1.00 SLC6A1 (0.44) SLC6A1SLC6A2SLC6A4HDAC8KCNK3
SCHEMBL6934974 0.82 NPSR1 (0.43) SLC6A1LTB4RLTB4R2LMNAGAA
SCHEMBL6934690 0.80 MAPT (0.46) LTB4RLTB4R2LMNAGAASMN1; SMN2
SCHEMBL6934845 0.80 MAPT (0.46) LTB4RLTB4R2LMNAGAASMN1; SMN2
SCHEMBL5342179 0.77 HTT (0.43)
SCHEMBL5342182 0.77 HTT (0.43)
SCHEMBL10316745 0.73 CSNK2A1 (0.45) SLC6A4LTB4RLTB4R2LMNASMN1; SMN2
SCHEMBL10355817 0.73 CSNK2A1 (0.45) SLC6A4LTB4RLTB4R2LMNASMN1; SMN2
SCHEMBL10316746 0.73 CSNK2A1 (0.45) SLC6A4LTB4RLTB4R2LMNASMN1; SMN2
SCHEMBL14034210 0.72 NR4A1 (0.46) SLC6A1KCNK3KCNK9LMNAGAA

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