SCHEMBL7980459

SCHEMBL7980459

c1cc(NC23CC4CC(CC(C4)C2)C3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP17A1 P05093 3/20 0.41
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
P2RX7 Q99572 2/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL138594 0.79 EPHX2 (0.56) EPHX2ALDH1A1HTTP2RX7TSHR
SCHEMBL7979165 0.78 EPHX2 (0.62) EPHX2MEN1KMT2ACYP17A1CYP19A1
Hydrochloric Acid SCHEMBL27845477 0.78 EPHX2 (0.54) EPHX2ALDH1A1MEN1KMT2AHTT
SCHEMBL11447009 0.76 POLB (0.53) EPHX2ALDH1A1GAAHTTTSHR
SCHEMBL21292856 0.72 EPHX2 (0.45) EPHX2ALDH1A1MEN1KMT2AGAA
SCHEMBL21309807 0.72 PGR (0.45) EPHX2EPHX1
SCHEMBL3361761 0.72 ALDH1A1 (0.63) EPHX2ALDH1A1MEN1KMT2ACYP17A1
SCHEMBL1397748 0.71 EPHX2 (0.47) EPHX2ALDH1A1HTTP2RX7TSHR
SCHEMBL22441207 0.71 EPHX2 (0.68) EPHX2MEN1KMT2AEPHX1
SCHEMBL7967017 0.71 EPHX2 (0.42) EPHX2ALDH1A1TSHR

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