SCHEMBL8922159

SCHEMBL8922159

COc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2ccc(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.42
DRD4 P21917 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHIA Q9BZP6 1/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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 SCHEMBL8919801 0.99 MEN1 (0.42) MEN1KMT2APOLBDRD4ALDH1A1
SCHEMBL8919087 0.89 DRD4 (0.42) MEN1KMT2ADRD4CHIANPC1
SCHEMBL8920236 0.89 DRD4 (0.41) MEN1KMT2APOLBDRD4CHIA
Hydrochloric Acid SCHEMBL8919208 0.88 DRD4 (0.41) MEN1KMT2APOLBDRD4CHIA
Hydrochloric Acid SCHEMBL8919880 0.86 DRD4 (0.40) MEN1KMT2ADRD4CHIANPC1
Hydrochloric Acid SCHEMBL8920956 0.85 HTT (0.45) MEN1KMT2ADRD4ALDH1A1CHIA
SCHEMBL8918938 0.84 PDE3B (0.48) MEN1KMT2APOLBDRD4CHIA
SCHEMBL8918884 0.83 MAPK14 (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8920344 0.82 KMT2A (0.46) MEN1KMT2APOLBDRD4ALDH1A1
Hydrochloric Acid SCHEMBL8918122 0.82 KMT2A (0.45) MEN1KMT2APOLBDRD4ALDH1A1

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
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US claimed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP claimed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO claimed