SCHEMBL7465796

SCHEMBL7465796

COc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHIA Q9BZP6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
TRPC6 Q9Y210 2/20 0.41

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
Oxalic Acid SCHEMBL7475496 0.98 POLB (0.47) POLBMEN1KMT2AALDH1A1CYP1A2
Oxalic Acid SCHEMBL7464359 0.89 CHIA (0.46) POLBMEN1KMT2AALDH1A1CHIA
Oxalic Acid SCHEMBL7461354 0.87 MEN1 (0.47) POLBMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7464856 0.83 CHIA (0.45) POLBMEN1KMT2AALDH1A1CHIA
Oxalic Acid SCHEMBL7478101 0.83 MEN1 (0.63) POLBMEN1KMT2AALDH1A1ACHE
Oxalic Acid SCHEMBL7461358 0.83 MEN1 (0.43) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7473094 0.82 HSD11B1 (0.56) MEN1KMT2ACHIAL3MBTL1
SCHEMBL9391468 0.81 CHIA (0.46) MEN1KMT2ACHIAL3MBTL1
Hydrochloric Acid SCHEMBL7471494 0.81 MEN1 (0.48) POLBMEN1KMT2AALDH1A1ACHE
SCHEMBL8922159 0.80 MEN1 (0.43) POLBMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
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
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed