SCHEMBL11412611

SCHEMBL11412611

NC(=O)C[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HTR2A P28223 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MAOB P27338 1/20 0.44

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
SCHEMBL8229408 1.00 IDO1 (0.51) IDO1RAB9AHTR2AALDH1A1AKR1C3
Bromide SCHEMBL29012388 0.99 IDO1 (0.50) IDO1RAB9AHTR2AALDH1A1AKR1C3
Bromide SCHEMBL3945418 0.99 IDO1 (0.50) IDO1RAB9AHTR2AALDH1A1AKR1C3
Bromide SCHEMBL28819963 0.87 IDO1 (0.50) IDO1RAB9AHTR2AALDH1A1AKR1C3
Bromide SCHEMBL28819964 0.87 IDO1 (0.50) IDO1RAB9AHTR2AALDH1A1AKR1C3
SCHEMBL27769197 0.87 IDO1 (0.50) IDO1RAB9AHTR2AALDH1A1AKR1C3
SCHEMBL8350753 0.86 RAB9A (0.52) IDO1RAB9AHTR2AALDH1A1AKR1C3
SCHEMBL10500167 0.85 IDO1 (0.54) IDO1RAB9AHTR2AALDH1A1AKR1C3
SCHEMBL12214491 0.84 HTR2A (0.53) IDO1RAB9AHTR2AALDH1A1AKR1C3
SCHEMBL7275342 0.84 HTR2A (0.53) IDO1RAB9AHTR2AALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228184-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-10-14 — — US disclosed
US-4207336-A AGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207342-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4207337-A ESPECIALLY ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 — — US disclosed
US-4206232-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-03 — — US disclosed
US-4200649-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-04-29 — — US disclosed
US-4192882-A SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — US disclosed
US-4192881-A RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 — — US disclosed
US-4153725-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 — — US disclosed
US-4146641-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4146639-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 — — US disclosed
US-4105789-A Carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1978-08-08 — — US disclosed
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