SCHEMBL8565351

SCHEMBL8565351

O=C(Cl)OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRCP P42785 1/20 0.46

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
SCHEMBL8560963 0.89 KDM4E (0.52) ATMALDH1A1LMNAGLAGAA
SCHEMBL166860 0.84 ATM (0.57) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL166861 0.82 ALDH1A1 (0.56) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL8564311 0.82 KMT2A (0.49) ALDH1A1KMT2ABCHESMN1; SMN2KDM4E
SCHEMBL11026647 0.81 ALDH1A1 (0.56) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL421739 0.81 ATM (0.54) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL65772 0.81 ATM (0.54) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL15160661 0.81 ATM (0.54) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL421738 0.81 ATM (0.54) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL20305268 0.81 ALDH1A1 (0.59) ATMALDH1A1KMT2ALMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705497-A INOTROPIC, ANTIARRHYTHMIA AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed
US-4958024-A REACTION OF CARBAMATE SUBSTITUTED ACRYLIC ESTER, VASODILATORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-18 US disclosed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US disclosed
US-4739106-A VASODILATION, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP disclosed