SCHEMBL8809884

SCHEMBL8809884

c1ccc(Cc2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.68
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
RAB9A P51151 1/20 0.59
GRIN2B Q13224 1/20 0.59
POLB P06746 1/20 0.59
ACHE P22303 3/20 0.54
BACE1 P56817 3/20 0.54
BCHE P06276 2/20 0.54
HDAC1 Q13547 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.53
CXCL12 P48061 1/20 0.51
CXCR4 P61073 1/20 0.51
EPHX1 P07099 1/20 0.51
HPGD P15428 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51

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
SCHEMBL1847296 0.93 HRH3 (0.71) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL10789534 0.93 HRH3 (0.71) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL294763 0.93 HRH3 (0.71) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL24574127 0.93 HRH3 (0.71) HRH3MEN1KMT2ARAB9AGRIN2B
Hydrochloric Acid SCHEMBL11782513 0.91 HRH3 (0.69) HRH3MEN1KMT2ARAB9AGRIN2B
Hydrochloric Acid SCHEMBL11781778 0.91 HRH3 (0.69) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL2954218 0.91 GRIN2B (0.69) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL433970 0.91 GRIN2B (0.69) HRH3MEN1KMT2ARAB9AGRIN2B
SCHEMBL4173336 0.91 GRIN2B (0.69) HRH3MEN1KMT2ARAB9AGRIN2B
Bromide SCHEMBL18131548 0.89 HRH3 (0.67) HRH3MEN1KMT2ARAB9AGRIN2B

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed