SCHEMBL14369698

SCHEMBL14369698

CC(C)N1CCN(C2=CCCC=C2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HRH3 Q9Y5N1 3/20 0.35
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL467582 0.77 KDM4E (0.38) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL12582119 0.65 MAPT (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL23980754 0.65 CHRNA7 (0.44) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL2480845 0.64 KDM4E (0.39) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL18876495 0.64 KDM4E (0.42) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL21361597 0.64 ALDH1A1 (0.42) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL18876521 0.64 KDM4E (0.46) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL13290572 0.64 CHRNA7 (0.46) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL13290568 0.64 CHRNA7 (0.46) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL681912 0.64 CHRNA7 (0.46) KDM4EALDH1A1MAPTPKMHRH3

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-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed