SCHEMBL11153142

SCHEMBL11153142

c1ccc(CCNNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.52
EPHX1 P07099 1/20 0.52
P2RX7 Q99572 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TRPV6 Q9H1D0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42

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
Hydrochloric Acid SCHEMBL11159937 0.98 EPHX2 (0.51) EPHX2EPHX1P2RX7NPC1RAB9A
SCHEMBL1075086 0.83 EPHX2 (0.55) EPHX2EPHX1P2RX7NPC1RAB9A
SCHEMBL3362927 0.77 EPHX2 (0.63) EPHX2EPHX1P2RX7NPC1RAB9A
Amantadine SCHEMBL8154960 0.72 LMNA (0.61) EPHX2EPHX1P2RX7NPC1RAB9A
SCHEMBL1779571 0.72 EPHX1 (0.58) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1074947 0.72 TRPV6 (0.61) EPHX2EPHX1P2RX7NPC1RAB9A
SCHEMBL11149799 0.71 EPHX2 (0.60) EPHX2P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL10395199 0.71 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2GAAALDH1A1
Hydrochloric Acid SCHEMBL11159933 0.70 EPHX2 (0.58) EPHX2P2RX7SMN1; SMN2GAAALDH1A1
SCHEMBL1937671 0.70 NPC1 (0.84) EPHX2EPHX1NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 EP claimed
EP-0002066-A1 2-Adamantyl hydrazines and pharmaceutical compositions containing them Teva Pharmaceutical Industries Limited (IL) 1979-05-30 EP claimed
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 EP disclosed
US-4254128-A 2-Adamantyl hydrazines and biocidal compositions thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1981-03-03 US disclosed