SCHEMBL8919205

SCHEMBL8919205

CN(CCc1ccccc1)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)NC(=O)CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 3/20 0.37
GRIN2B Q13224 2/20 0.37
CHIA Q9BZP6 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36

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 SCHEMBL8919035 0.86 GRIN2B (0.39) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8919777 0.86 CHIA (0.42) ALDH1A1KMT2AMEN1PKML3MBTL1
Oxalic Acid SCHEMBL8919232 0.85 MEN1 (0.41) ALDH1A1KMT2AMEN1PKML3MBTL1
Hydrochloric Acid SCHEMBL8921524 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL8921489 0.84 BRD4 (0.46) KMT2AMEN1MCHR1PKML3MBTL1
SCHEMBL8922923 0.82 CRBN (0.48) ALDH1A1GRIN2BCHIA
SCHEMBL9207045 0.79 CCR3 (0.41) KMT2AMEN1PKML3MBTL1GRIN2B
Hydrochloric Acid SCHEMBL8920956 0.79 HTT (0.45) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7463749 0.78 HTT (0.54) HTTSMN1; SMN2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL8918415 0.78 CCR3 (0.41) KMT2AMEN1PKML3MBTL1GRIN2B

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 disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed