SCHEMBL7205922

SCHEMBL7205922

COc1ccc2ccccc2c1CN1CC(C(c2ccccc2)c2ccccc2)N2CCC[C@H]2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MC4R P32245 3/20 0.40
XIAP P98170 5/20 0.40
SLC6A4 P31645 1/20 0.39
S1PR5 Q9H228 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL7205927 1.00 HTT (0.55) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL6541329 1.00 HTT (0.55) HTTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7200288 0.87 TACR1 (0.46) HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL6540431 0.87 TACR1 (0.46) HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7200284 0.87 TACR1 (0.46) HTTMEN1KMT2A
SCHEMBL7194671 0.84 TACR1 (0.45) MEN1KMT2ASLC6A4KDM1AMAOA
SCHEMBL7194679 0.84 TACR1 (0.45) MEN1KMT2ASLC6A4KDM1AMAOA
SCHEMBL6540752 0.84 TACR1 (0.45) MEN1KMT2ASLC6A4KDM1AMAOA
SCHEMBL7204313 0.83 TACR1 (0.42) HTTMEN1KMT2A
SCHEMBL7204308 0.83 TACR1 (0.42) HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed