SCHEMBL6971360

SCHEMBL6971360

C=C(C)C1(C(=O)O)CCN(c2ccnc(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.39
SORD Q00796 5/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH4 Q9H3N8 3/20 0.35
ROCK2 O75116 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
F10 P00742 2/20 0.35
PTGER4 P35408 2/20 0.34
GBA1 P04062 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
SCHEMBL6980618 0.75 LSS (0.65) LSSALDH1A1GBA1
SCHEMBL14276896 0.74 MAP4K4 (0.51) LSSSORDALDH1A1HPGDHSD17B10
SCHEMBL7661376 0.71 LSS (0.55) LSSSORDHPGDHSD17B10HCRTR1
SCHEMBL24799135 0.70 SORD (0.48) LSSSORDALDH1A1HSD17B10HRH3
SCHEMBL3167113 0.70 CXCR4 (0.49) SORDHRH3HRH4GPBAR1GBA1
SCHEMBL27341234 0.69 EIF2AK4 (0.39) LSSSORDHCRTR1HCRTR2HRH3
SCHEMBL13750595 0.69 CXCR4 (0.51) SORDHRH3HRH4GPBAR1GBA1
SCHEMBL31553317 0.69 CXCR4 (0.51) SORDHRH3HRH4GPBAR1GBA1
SCHEMBL9513674 0.68 KDM4E (0.59) ALDH1A1HPGDGBA1
Hydrochloric Acid SCHEMBL7654007 0.68 HRH3 (0.42) LSSSORDOPRD1ALDH1A1HPGD

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-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed