SCHEMBL9705403

SCHEMBL9705403

NCCCC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
EGFR P00533 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
HDAC1 Q13547 3/20 0.53
NOTUM Q6P988 1/20 0.53
HDAC2 Q92769 1/20 0.53
EPHX1 P07099 2/20 0.52
MAOA P21397 3/20 0.51
PRKCI P41743 1/20 0.50
HDAC3 O15379 1/20 0.48

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
SCHEMBL16596187 0.84 EPHX1 (0.70) MAOBEGFRNPC1RAB9AMAPT
SCHEMBL2535693 0.83 EPHX1 (0.61) MAOBEGFRNPC1RAB9AMAPT
SCHEMBL9258583 0.80 EPHX1 (0.76) MAOBNPC1RAB9AMAPTHDAC1
SCHEMBL7441657 0.80 HDAC1 (0.83) MAOBEGFRNPC1RAB9AMAPT
SCHEMBL1948423 0.80 MAOB (0.64) MAOBEGFRNPC1RAB9AMAPT
SCHEMBL2535295 0.80 NOTUM (0.61) MAOBEGFRNPC1RAB9AMAPT
SCHEMBL12821719 0.78 RAB9A (0.61) MAOBNPC1RAB9AMAPTNOTUM
SCHEMBL14006265 0.78 FPR3 (0.57)
SCHEMBL9705544 0.78 EPHX1 (0.69) MAOBNPC1RAB9AMAPTNOTUM
SCHEMBL9261957 0.77 EGFR (0.60) MAOBEGFRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP disclosed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US disclosed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP disclosed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP disclosed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO disclosed