SCHEMBL8807968

SCHEMBL8807968

Cc1ccc(-c2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.83
CXCR4 P61073 2/20 0.58
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 1/20 0.53
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
CXCL12 P48061 1/20 0.50
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5864236 0.95 HRH3 (0.72) HRH3CXCR4RAB9APOLBHPGD
SCHEMBL11434269 0.93 HRH3 (0.69) HRH3CXCR4RAB9AMEN1KMT2A
SCHEMBL2731922 0.85 ACHE (0.61) HRH3RAB9AMEN1KMT2APOLB
SCHEMBL10953965 0.85 HRH3 (0.88) HRH3CXCR4RAB9AMEN1KMT2A
SCHEMBL24093171 0.84 HRH3 (0.86) HRH3CXCR4RAB9AMEN1KMT2A
SCHEMBL8809487 0.84 HRH3 (0.86) HRH3CXCR4RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL27669852 0.83 RAB9A (0.61) HRH3RAB9AMEN1KMT2APOLB
SCHEMBL9057590 0.83 HRH3 (0.83) HRH3CXCR4RAB9AMEN1KMT2A
SCHEMBL8809145 0.83 POLB (0.83) HRH3CXCR4RAB9AMEN1KMT2A
SCHEMBL8806696 0.83 HRH3 (0.83) HRH3CXCR4RAB9AMEN1KMT2A

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