SCHEMBL8393574

SCHEMBL8393574

O=C(NCCC1CC1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
CHRM4 P08173 1/20 0.55

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
SCHEMBL8391438 0.93 ACHE (0.66) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL8393679 0.93 ACHE (0.66) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL25970123 0.92 ACHE (0.61) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL8396478 0.92 SMN1; SMN2 (0.68) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL8395193 0.92 SMN1; SMN2 (0.68) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL1927647 0.90 CHRM4 (0.64) ACHESMN1; SMN2RAB9ACHRM4
SCHEMBL8391764 0.90 RAB9A (0.58) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL4633308 0.89 ITGB3 (0.74) ACHESMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL1927379 0.86 ITGB3 (0.60) ACHEITGB3ITGA2BCHRM4
SCHEMBL8395564 0.83 SMN1; SMN2 (0.58) ACHESMN1; SMN2ALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed