SCHEMBL9119861

SCHEMBL9119861

CCCc1nc2ccccc2n1Cc1ccc(C2CCCC2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.64
AGTR2 P50052 5/20 0.64
PPARG P37231 8/20 0.60
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9121396 0.89 AGTR1 (0.58) AGTR1AGTR2PPARGPOLB
SCHEMBL5864485 0.87 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL6777744 0.82 TBXA2R (0.52)
SCHEMBL5864446 0.82 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8411049 0.81 USP2 (0.55) POLB
SCHEMBL9192299 0.78 AGTR1 (1.00) AGTR1AGTR2PPARGPOLB
SCHEMBL5864383 0.78 PDE6D (0.51)
SCHEMBL9434830 0.76 AGTR1 (0.66) AGTR1AGTR2PPARGPOLBLMNA
SCHEMBL8396958 0.75 PPARG (1.00) AGTR1AGTR2PPARG
SCHEMBL8976741 0.75 AGTR1 (0.59) AGTR1AGTR2

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
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 US claimed
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 US disclosed
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