SCHEMBL9720718

SCHEMBL9720718

COc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.58
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ATM Q13315 2/20 0.55
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL9720684 0.88 GAA (0.60) KDM4EMAPTALDH1A1ATMGAA
SCHEMBL14825427 0.82 ATM (0.58) ALDH1A1ATML3MBTL1KMT2ALMNA
SCHEMBL14825426 0.81 ATM (0.56) ALDH1A1ATML3MBTL1KMT2ALMNA
SCHEMBL9996727 0.79 KDM4E (0.64) TRPV6KDM4EMAPTNPSR1HTT
SCHEMBL3377350 0.79 GAA (0.67) TRPV6KDM4EMAPTNPSR1HTT
SCHEMBL9720648 0.78 HTR7 (0.70) KDM4EHTTALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL11376476 0.78 HTR1A (0.52) KDM4EMAPTHTTALDH1A1ATM
SCHEMBL4150936 0.77 GAA (0.69) TRPV6KDM4EMAPTNPSR1HTT
Belarizine SCHEMBL2108057 0.77 ATM (0.73) KDM4EMAPTNPSR1HTTALDH1A1
SCHEMBL6408217 0.77 TACR1 (0.64) KDM4EMAPTNPSR1HTTALDH1A1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed