SCHEMBL9202385

SCHEMBL9202385

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nc[nH]n3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHIA Q9BZP6 1/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL9209529 0.88 CHIA (0.43) KMT2AMEN1L3MBTL1CHIALMNA
Hydrochloric Acid SCHEMBL9203459 0.88 CHIA (0.43) L3MBTL1CHIALMNANPC1RAB9A
Hydrochloric Acid SCHEMBL9211068 0.85 ROCK2 (0.45) ALDH1A1KMT2AMEN1CHIA
SCHEMBL9200832 0.85 CYP11B1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MCHR1
Hydrochloric Acid SCHEMBL9202408 0.84 CHIA (0.45) L3MBTL1CHIANPC1RAB9A
Hydrochloric Acid SCHEMBL9212196 0.84 CHIA (0.40) MCHR1L3MBTL1CHIANPC1RAB9A
Hydrochloric Acid SCHEMBL7463749 0.83 HTT (0.54) HTTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9210225 0.83 CHIA (0.46) KMT2AMCHR1L3MBTL1CHIALMNA
Hydrochloric Acid SCHEMBL9205634 0.81 CHIA (0.43) L3MBTL1CHIANPC1RAB9AMGLL
SCHEMBL9209130 0.81 CHIA (0.43) KMT2AMEN1L3MBTL1CHIALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed