SCHEMBL8913033

SCHEMBL8913033

N#Cc1ccccc1-c1ccc2[nH]c(CN3CCC[C@H]3C(=O)OCc3ccccc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
POLB P06746 1/20 0.41
USP30 Q70CQ3 2/20 0.40
MMEL1 Q495T6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.38
CD274 Q9NZQ7 4/20 0.37
PDCD1 Q15116 3/20 0.37
DRD4 P21917 1/20 0.37
FKBP1A P62942 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CASR P41180 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 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
SCHEMBL8932026 0.75 OXTR (0.37) GRIN2BUSP30OXTRAVPR1A
SCHEMBL7025809 0.74 HPGD (0.59) MEN1KMT2ADRD4
SCHEMBL7019918 0.72 GAA (0.54) GRIN2BMEN1KMT2A
SCHEMBL2274911 0.71 POLB (0.61) POLBMMEL1MEN1KMT2AFKBP1A
SCHEMBL2274909 0.71 POLB (0.61) POLBMMEL1MEN1KMT2AFKBP1A
SCHEMBL7014933 0.67 TRPA1 (0.53) MEN1KMT2ADRD4
SCHEMBL6095418 0.67 GRIN2B (0.42) GRIN2BDRD4HCRTR1HCRTR2
SCHEMBL7020356 0.67 MAPT (0.47)
SCHEMBL11026079 0.67 FKBP1A (0.56) POLBMMEL1MEN1KMT2AFKBP1A
SCHEMBL7020541 0.67 TRPA1 (0.50) MEN1KMT2ADRD4

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-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