SCHEMBL7204057

SCHEMBL7204057

COc1ccc(Br)cc1CN1CC(C(c2ccccc2)c2ccccc2)N2CCC[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCR5 P51681 1/20 0.49
TACR1 P25103 6/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44

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
Hydrochloric Acid SCHEMBL6541607 0.99 KDM4E (0.49) KDM4EALDH1A1TDP1CCR5TACR1
Hydrochloric Acid SCHEMBL7191248 0.99 KDM4E (0.49) KDM4EALDH1A1TDP1CCR5TACR1
Hydrochloric Acid SCHEMBL7191245 0.99 KDM4E (0.49) KDM4EALDH1A1TDP1CCR5TACR1
SCHEMBL6541486 0.89 MAPT (0.51) KDM4EALDH1A1TACR1KMT2AMEN1
Hydrochloric Acid SCHEMBL6540428 0.89 MAPT (0.50) KDM4EALDH1A1TACR1KMT2AMEN1
Hydrochloric Acid SCHEMBL7194019 0.89 MAPT (0.50) KDM4EALDH1A1TACR1KMT2AMEN1
Hydrochloric Acid SCHEMBL6541012 0.89 TACR1 (0.59) TACR1
Hydrochloric Acid SCHEMBL7194013 0.89 MAPT (0.50) KDM4EALDH1A1TACR1KMT2AMEN1
SCHEMBL7193865 0.88 KDM4E (0.48) KDM4ETACR1KMT2AMEN1
SCHEMBL6540050 0.88 KDM4E (0.48) KDM4ETACR1KMT2AMEN1

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