SCHEMBL9432189

SCHEMBL9432189

O=C(O)C1CCCC1c1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.38
PEPD P12955 1/20 0.36
FFAR4 Q5NUL3 4/20 0.36

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
SCHEMBL9118854 0.85 TBXA2R (0.43) KCNQ3KCNQ2SLC6A2SLC6A4TBXA2R
SCHEMBL6732197 0.82 SLC6A2 (0.43) KCNQ3KCNQ2SLC6A2SLC6A4TBXA2R
SCHEMBL6737612 0.82 SLC6A2 (0.43) KCNQ3KCNQ2SLC6A2SLC6A4TBXA2R
SCHEMBL5839335 0.82 SLC6A2 (0.43) KCNQ3KCNQ2SLC6A2SLC6A4TBXA2R
SCHEMBL8577151 0.82 SLC6A2 (0.43) KCNQ3KCNQ2SLC6A2SLC6A4TBXA2R
SCHEMBL15096176 0.81 FFAR1 (0.56) FFAR1ALDH1A1
SCHEMBL7352063 0.80 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4FFAR1
SCHEMBL7352068 0.80 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4FFAR1
SCHEMBL4522521 0.80 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4FFAR1
SCHEMBL12592455 0.80 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4FFAR1

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
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO disclosed
US-5283242-A Hypotensive agents, cardiotonic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-01 US disclosed