SCHEMBL7732623

SCHEMBL7732623

CC(N1CCC(Cc2ccccc2)CC1)C(N)(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
DRD4 P21917 1/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL7723306 0.74 LMNA (0.55) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL8122548 0.73 DRD4 (0.55) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL7731046 0.72 LMNA (0.56) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL6427625 0.72 MAPT (0.65) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL7734279 0.72 LMNA (0.56) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL3156396 0.71 MEN1 (0.77) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL7732681 0.71 MEN1 (0.46) LMNAMEN1KMT2ASLC6A2SLC6A4
SCHEMBL7731296 0.71 DRD4 (0.65) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL17628468 0.70 KMT2A (0.70) HTTMAPTLMNASMN1; SMN2MAPK1
SCHEMBL5170576 0.70 HTT (0.75) HTTMAPTLMNASMN1; SMN2MAPK1

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
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed