SCHEMBL7320729

SCHEMBL7320729

CN1CCN(c2oc3ccccc3c(=O)c2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
KDM4E B2RXH2 6/20 0.47
CYP3A4 P08684 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ABCB1 P08183 1/20 0.47
CALM1 P0DP23 1/20 0.47
AR P10275 1/20 0.47
PKM P14618 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 3/20 0.46
HTT P42858 2/20 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
SCHEMBL7320806 0.84 PRKDC (0.54) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL8799483 0.84 HRH1 (0.53) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL27602194 0.74 HTR2C (0.47) HRH4KDM4EMEN1KMT2AMAPK1
SCHEMBL31622308 0.74 POLB (0.46) KDM4EMAPK1LMNATP53CA12
Hydrochloric Acid SCHEMBL6986147 0.73 HTR2C (0.46) HRH4KDM4EMEN1KMT2AMAPK1
SCHEMBL27584402 0.73 HTR2C (0.46) HRH4KDM4EMEN1KMT2AMAPK1
SCHEMBL4757017 0.73 LMNA (0.61) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL7325705 0.71 PRKDC (0.71) HRH4CYP1B1ALDH1A1
SCHEMBL10001285 0.70 ALDH1A1 (0.54) HRH4KDM4EMEN1KMT2ALMNA
SCHEMBL7324233 0.70 HTR6 (0.56) HRH4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed