SCHEMBL8577151

SCHEMBL8577151

O=C(O)C1CCCCC1c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FFAR1 O14842 2/20 0.38
TBXA2R P21731 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL5839335 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL6732197 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL6737612 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL9432189 0.82 KCNQ3 (0.42) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL6737892 0.82 TAAR1 (0.42) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL6737896 0.82 TAAR1 (0.42) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL9118854 0.81 TBXA2R (0.43) SLC6A2SLC6A4SMN1; SMN2KCNQ3KCNQ2
SCHEMBL901089 0.80 SLC6A2 (0.48) SLC6A2SLC6A4KCNQ3KCNQ2HSD17B10
SCHEMBL838634 0.79 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2TAAR1
SCHEMBL22492058 0.79 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834481-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
US-5708003-A TREATING ARTERIAL HYPERTENSION AND ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
US-5508299-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, ARTERIAL HYPOTENSIVE AGENT; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5478836-A Treaing hypertension, atheroschlerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
US-5395840-A Hypotensive agents; atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed