SCHEMBL14446232

SCHEMBL14446232

CC(=O)OC12CC1CNC2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.35
SLC18A3 Q16572 2/20 0.35
TACR1 P25103 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14446236 0.75 USP2 (0.37) POLBUSP2TACR1MEN1KMT2A
SCHEMBL5161190 0.71 HDAC2 (0.36) USP2TACR1MEN1KMT2A
SCHEMBL14446216 0.68 KDM1A (0.41) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL14446228 0.68 GBA1 (0.38) TACR1TSHR
SCHEMBL5161755 0.68 GBA1 (0.38) TACR1TSHR
SCHEMBL5414950 0.68 GBA1 (0.38) TACR1TSHR
SCHEMBL5162035 0.68 KDM1A (0.41) TACR1GAAALDH1A1
SCHEMBL5161943 0.68 KDM1A (0.41) TACR1GAAALDH1A1
SCHEMBL5161948 0.68 KDM1A (0.41) TACR1GAAALDH1A1
SCHEMBL5162043 0.68 KDM1A (0.41) TACR1GAAALDH1A1

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-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed