SCHEMBL11097138

SCHEMBL11097138

O=C(CN1CCC(N2Cc3ccccc3OC2=O)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
ALDH1A1 P00352 9/20 0.51
LMNA P02545 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 4/20 0.47
MAPK1 P28482 4/20 0.47
ACHE P22303 1/20 0.46
CYP2J2 P51589 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
HTT P42858 3/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL11104105 0.84 MAOB (0.53) MAOBALDH1A1LMNAKDM4ENPC1
SCHEMBL11100292 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTACHEHTT
SCHEMBL11108061 0.80 LMNA (0.43) ALDH1A1LMNAMAPTMAPK1HSD17B10
SCHEMBL11096932 0.79 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL11105124 0.78 MAOB (0.55) MAOBALDH1A1LMNAKDM4ENPC1
SCHEMBL11180233 0.77 ALDH1A1 (0.45) ALDH1A1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL11104730 0.76 MAOB (0.46) MAOBALDH1A1LMNAKDM4ENPC1
SCHEMBL11104724 0.76 MAOB (0.46) MAOBALDH1A1LMNAKDM4ENPC1
SCHEMBL5253082 0.74 HTR1A (0.69) MAOBALDH1A1LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL5248906 0.74 HTR1A (0.68) MAOBALDH1A1LMNAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
US-4390536-A HYPOTENSIVE AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-06-28 US disclosed
US-4344945-A HYPOTENSIVE AGENTS, BENZOXAZINYL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-08-17 US disclosed