SCHEMBL4405502

SCHEMBL4405502

O=C(O)N1CCC(N2CCC(n3nnc4ccccc43)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
USP2 O75604 4/20 0.62
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CHRM4 P08173 1/20 0.51
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BAP1 Q92560 1/20 0.47

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
SCHEMBL5751254 0.90 ALDH1A1 (0.70) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL3001478 0.84 MAPT (0.58) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL3453313 0.82 USP2 (0.55) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL3452972 0.76 USP2 (0.55) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL5633033 0.75 USP2 (0.58) ALDH1A1USP2MEN1NPC1RAB9A
Lithium Ion SCHEMBL5633232 0.73 USP2 (0.57) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL27786279 0.73 SLC18A3 (0.55) ALDH1A1NPC1RAB9AMAPTCYP2D6
SCHEMBL11201625 0.73 USP2 (0.58) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL12153235 0.73 USP2 (0.58) ALDH1A1USP2MEN1NPC1RAB9A
SCHEMBL11101570 0.72 USP2 (0.58) ALDH1A1USP2MEN1NPC1RAB9A

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-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 WO disclosed