SCHEMBL7873219

SCHEMBL7873219

CC(=O)NC1(c2ccccc2)CC[N]C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.40
SSTR4 P31391 1/20 0.39
TACR3 P29371 8/20 0.37
NPY1R P25929 1/20 0.36
SLC6A4 P31645 1/20 0.36
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
VNN1 O95497 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL6158885 0.79 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5987740 0.77 POLB (0.65) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13626300 0.74 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20738594 0.74 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11692509 0.72 POLB (0.60) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2231946 0.70 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20738519 0.69 ALDH1A1 (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14000285 0.69 POLB (0.68) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2479293 0.69 POLB (0.56) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13774961 0.68 ALDH1A1 (0.71) POLBALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed