SCHEMBL7399103

SCHEMBL7399103

CCOC(=O)CCN1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
PTPN1 P18031 1/20 0.39
NOTUM Q6P988 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AGTR1 P30556 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TNF P01375 3/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7324461 0.88 TNF (0.37) KDM4EALOX15TSHRSIRT1PTPN1
SCHEMBL7331430 0.88 PTPN1 (0.35) KDM4EALOX15TSHRSIRT1PTPN1
SCHEMBL7333036 0.83 KDM4E (0.44) KDM4EALOX15TSHRSIRT1GABRA1
SCHEMBL7325740 0.78 SIGMAR1 (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL7330449 0.77 TPSAB1 (0.40) MEN1KMT2AALDH1A1NPSR1CYP3A4
SCHEMBL7333421 0.77 TPSAB1 (0.40) MEN1KMT2ANPSR1CYP3A4CYP2D6
SCHEMBL7327440 0.77 TPSAB1 (0.40) MEN1KMT2ANPSR1CYP3A4CYP2D6
SCHEMBL7363847 0.77 CREBBP (0.41) KDM4EALOX15TSHRSIRT1GABRA1
SCHEMBL7321392 0.75 TNF (0.38) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL7133617 0.74 F2 (0.42) KDM4EALOX15TSHRSIRT1GABRA1

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-5716951-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1998-02-10 US disclosed
US-5705890-A PLATELET AGGREGATION INHIBITOR, ANTITHROMBOTIC GENENTECH, INC. (US) 1998-01-06 US disclosed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed