SCHEMBL2835539

SCHEMBL2835539

COc1cccc(CCC(=O)N2CCC(N3CCCC3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 2/20 0.52
CBX7 O95931 1/20 0.52
CDYL2 Q8N8U2 1/20 0.52
CDYL Q9Y232 1/20 0.52
CCR3 P51677 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL4378416 0.91 ALDH1A1 (0.73) KMT2AALDH1A1TSHRSIGMAR1MAPT
SCHEMBL4376335 0.90 ALDH1A1 (0.76) KMT2AALDH1A1TSHRSIGMAR1MAPT
SCHEMBL22813680 0.88 SIGMAR1 (0.62) ALDH1A1SIGMAR1TDP1HRH3KDM4E
SCHEMBL2833225 0.86 KMT2A (0.80) KMT2AALDH1A1TSHRMEN1L3MBTL3
SCHEMBL2833221 0.83 L3MBTL3 (0.59) KMT2AALDH1A1TSHRMEN1L3MBTL3
SCHEMBL20988914 0.81 PKM (0.53) ALDH1A1TSHRSIGMAR1MAPTTPSAB1
SCHEMBL8326447 0.81 SIGMAR1 (0.66) KMT2AALDH1A1MEN1SIGMAR1MAPT
SCHEMBL8324239 0.80 FKBP1A (0.72) KMT2AALDH1A1MEN1SIGMAR1KDM4E
SCHEMBL13624853 0.80 SIGMAR1 (0.61) KMT2AALDH1A1MEN1SIGMAR1MAPT
SCHEMBL20989033 0.79 SIGMAR1 (0.50) KMT2AALDH1A1TSHRSIGMAR1TPSAB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP claimed
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP disclosed
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed