SCHEMBL8600560

SCHEMBL8600560

CCCC1CCN(C(CCCC=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR4 Q13639 9/20 0.38
ACHE P22303 6/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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 SCHEMBL8603573 0.92 MEN1 (0.44) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8600057 0.90 MEN1 (0.39) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8603836 0.90 MEN1 (0.40) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8601233 0.90 MEN1 (0.39) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8603068 0.89 MEN1 (0.55) MEN1ALDH1A1CYP2D6KMT2ATP53
Hydrochloric Acid SCHEMBL8599772 0.89 MEN1 (0.39) MEN1ALDH1A1CYP2D6KMT2ATP53
Hydrochloric Acid SCHEMBL8599756 0.89 MEN1 (0.40) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8602358 0.88 CYP3A4 (0.38) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8601824 0.87 KMT2A (0.41) MEN1ALDH1A1CYP2D6KMT2ATP53
SCHEMBL8604943 0.87 MEN1 (0.49) MEN1ALDH1A1CYP2D6KMT2ATP53

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
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed