SCHEMBL7449252

SCHEMBL7449252

CC(C)[C@H](S)C(=O)N[C@H]1CCCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.49
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR4 Q13639 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7502098 0.78 EPHX1 (0.57) EPHX1POLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL255421 0.76 EPHX1 (0.59) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL11007528 0.75 EPHX1 (0.53) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL4078143 0.75 ARG1 (0.47) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL12789535 0.74 EPHX1 (0.60) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL28895020 0.74 EPHX1 (0.57) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL14342617 0.74 EPHX1 (0.44) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL1802727 0.73 EPHX1 (0.55) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL18745320 0.72 EPHX1 (0.50) EPHX1POLBSIGMAR1GNAI3GNAO1
SCHEMBL2324691 0.72 EPHX1 (0.62) EPHX1POLBSIGMAR1GNAI3GNAO1

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
EP-0706525-A1 ANTIHYPERTENSIVE TRICYCLIC AZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE Novartis AG (CH) 1996-04-17 EP disclosed
WO-1995001353-A1 ANTIHYPERTENSIVE TRICYCLIC AZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE CIBA-GEIGY AG (CH) 1995-01-12 WO disclosed