SCHEMBL7021891

SCHEMBL7021891

N#Cc1ccccc1-c1ccc(NC(=O)CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
ESR2 Q92731 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LTA4H P09960 1/20 0.46
PFKFB2 O60825 2/20 0.46
PFKFB1 P16118 2/20 0.46
PFKFB3 Q16875 2/20 0.46
MME P08473 1/20 0.46

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
SCHEMBL8488501 0.81 TSHR (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7022742 0.81 ESR2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4342180 0.81 ESR2 (0.56) ESR2TAAR1PTPN5KMT2AF10
SCHEMBL11764649 0.77 LMNA (0.52) LTA4HPFKFB2PFKFB1PFKFB3LMNA
SCHEMBL8044037 0.76 SAE1 (0.59) TAAR1LTA4HPFKFB2PFKFB1PFKFB3
SCHEMBL6164774 0.75 TTK (0.55) ESR2S1PR1S1PR3PTPN5F10
SCHEMBL23742273 0.75 ROCK2 (0.55) ESR2FFAR1AKR1B1
Hydrochloric Acid SCHEMBL8034830 0.75 SAE1 (0.57) TAAR1LTA4HPFKFB2PFKFB1PFKFB3
SCHEMBL7408966 0.75 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL14744445 0.75 RORC (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed