SCHEMBL6796332

SCHEMBL6796332

COc1ccc(CN2CCCC2)c(C)c1C

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.97
KMT2A Q03164 5/20 0.97
TSHR P16473 2/20 0.97
ALDH1A1 P00352 1/20 0.97
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.65
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12316779 0.88 MEN1 (0.85) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL13726123 0.87 MEN1 (0.74) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL13726528 0.85 MEN1 (0.72) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL22810443 0.85 KMT2A (0.71) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL13726176 0.83 LMNA (0.75) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL30847026 0.83 LMNA (0.75) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL11928962 0.81 CHRM2 (0.72) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL13727299 0.81 LMNA (1.00) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL13727123 0.81 MAPT (0.80) MEN1KMT2ATSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL30087523 0.80 APOBEC3A (0.73) MEN1KMT2ATSHRALDH1A1LMNA

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-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed