SCHEMBL11219438

SCHEMBL11219438

CC(C#N)CC(C#N)(c1cc2ccccc2s1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A4 P31645 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADRB2 P07550 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PRKDC P78527 4/20 0.34
▸ SLC6A3 Q01959 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL11203944 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL11157410 0.73 GAA (0.43) SLC6A4L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL11221521 0.66 SLC6A2 (0.55) SLC6A2SLC6A4L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11224434 0.62 BCL2L1 (0.50) RAB9ALMNA
SCHEMBL6752314 0.61 L3MBTL1 (0.54) SLC6A2SLC6A4L3MBTL1SMN1; SMN2PRKDC
SCHEMBL14775525 0.60 SLC6A2 (0.71) SLC6A2SLC6A4L3MBTL1ADRB2CYP2A6
SCHEMBL27839304 0.60 SLC6A2 (0.53) SLC6A2SLC6A4L3MBTL1ADRB2CYP2A6
SCHEMBL11092419 0.59 ALDH1A1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL2388308 0.58 MGLL (0.44) ADRB2CYP2A6LMNA
SCHEMBL274427 0.58 CYP2A6 (0.58) ADRB2CYP2A6LMNA

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-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 — — US disclosed
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