SCHEMBL4433472

SCHEMBL4433472

CCOC1CCCN(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
VNN1 O95497 2/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4433475 1.00 TAAR1 (0.46) TAAR1VNN1ALDH1A1LMNAMAPK1
SCHEMBL12085750 0.89 VNN1 (0.41) TAAR1VNN1ALDH1A1MAPT
SCHEMBL21930188 0.89 VNN1 (0.41) TAAR1VNN1ALDH1A1MAPT
SCHEMBL21929958 0.89 VNN1 (0.41) TAAR1VNN1ALDH1A1MAPT
SCHEMBL8374148 0.86 TAAR1 (0.43) TAAR1VNN1ALDH1A1LMNAMAPK1
SCHEMBL30744688 0.85 ALDH1A1 (0.47) TAAR1VNN1ALDH1A1POLBKDM4E
SCHEMBL4115177 0.85 ALDH1A1 (0.43) TAAR1VNN1ALDH1A1POLBKDM4E
SCHEMBL31691616 0.83 TAAR1 (0.41) TAAR1VNN1ALDH1A1LMNAMAPK1
SCHEMBL27935627 0.83 TAAR1 (0.41) TAAR1VNN1ALDH1A1LMNAMAPK1
SCHEMBL7291396 0.83 TAAR1 (0.40) TAAR1VNN1ALDH1A1LMNAMAPK1

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-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed