SCHEMBL7979165

SCHEMBL7979165

c1cncc(NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.62
P2RX7 Q99572 3/20 0.55
USP2 O75604 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 3/20 0.54
GBA1 P04062 1/20 0.50
CYP17A1 P05093 3/20 0.43
CYP19A1 P11511 3/20 0.43
HSD11B1 P28845 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PABPC1 P11940 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL7980459 0.78 EPHX2 (0.58) EPHX2P2RX7MEN1KMT2ATSHR
SCHEMBL138594 0.77 EPHX2 (0.56) EPHX2P2RX7TSHRMAPK1NPSR1
Hydrochloric Acid SCHEMBL27845477 0.76 EPHX2 (0.54) EPHX2P2RX7MEN1KMT2ATSHR
SCHEMBL19198145 0.76 MEN1 (0.62) EPHX2P2RX7USP2MEN1KMT2A
SCHEMBL3323740 0.73 P2RX7 (0.75) EPHX2P2RX7USP2MEN1KMT2A
SCHEMBL7967017 0.72 EPHX2 (0.42) EPHX2TSHR
SCHEMBL3360289 0.72 CYP17A1 (0.60) EPHX2P2RX7MEN1KMT2ATSHR
SCHEMBL28345309 0.70 EPHX2 (0.49) EPHX2P2RX7USP2MEN1KMT2A
SCHEMBL23902890 0.70 TSHR (1.00) EPHX2USP2MEN1KMT2ATSHR
SCHEMBL1397748 0.69 EPHX2 (0.47) EPHX2P2RX7TSHRMAPK1NPSR1

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
WO-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO claimed
WO-2001074778-A1 (1-ADAMANTYLAMINO)PYRIDINES AND METHOD OF THEIR PREPARATION FUNDACJA ROZWOJU DIAGNOSTYKI I TERAPII (PL) 2001-10-11 WO disclosed