SCHEMBL6880221

SCHEMBL6880221

O=C(NCCCc1ccncc1)NOCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.51
EPHX2 P34913 10/20 0.48
EPHX1 P07099 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP19A1 P11511 3/20 0.44
CYP17A1 P05093 2/20 0.44

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
SCHEMBL1678436 0.79 P2RX7 (0.51) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL4377982 0.78 P2RX7 (0.48) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1677912 0.78 P2RX7 (0.50) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1677845 0.77 P2RX7 (0.47) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1678665 0.77 P2RX7 (0.49) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1678506 0.77 P2RX7 (0.46) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1678213 0.76 SMN1; SMN2 (0.66) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1677863 0.76 P2RX7 (0.44) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL29742245 0.76 P2RX7 (0.49) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL1679345 0.76 P2RX7 (0.48) P2RX7EPHX2EPHX1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed