SCHEMBL6937352

SCHEMBL6937352

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
ALOX5 P09917 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
KCNA5 P22460 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8096598 0.88 EPHX1 (0.41) EPHX1ALOX5TRPM8KCNA5GAA
SCHEMBL6939334 0.81 MMP8 (0.47) KCNA5GAASMN1; SMN2MMP8MEN1
SCHEMBL6343341 0.78 EPHX1 (0.49) EPHX1ALOX5GAASMN1; SMN2MMP9
SCHEMBL1582847 0.78 TRPM8 (0.49) TRPM8KCNA5GAASMN1; SMN2MEN1
SCHEMBL12718845 0.78 EPHX1 (0.59) EPHX1ALOX5SMN1; SMN2MMP9MMP8
SCHEMBL2587234 0.77 EPHX1 (0.63) EPHX1GAASMN1; SMN2MMP9MMP8
SCHEMBL3353282 0.77 EPHX1 (0.63) EPHX1GAASMN1; SMN2MMP9MMP8
SCHEMBL9983066 0.77 KCNA5 (0.48) KCNA5GAASMN1; SMN2MEN1KMT2A
SCHEMBL7062913 0.76 EPHX1 (0.46) EPHX1ALOX5GAASMN1; SMN2MMP9
Hydrochloric Acid SCHEMBL3353959 0.75 EPHX1 (0.61) EPHX1GAASMN1; SMN2MMP9MMP8

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 2 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