SCHEMBL8037464

SCHEMBL8037464

Cc1ccc([N+](=O)[O-])c(N)c1CN1CCCC1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MEN1 O00255 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8038941 0.96 ALDH1A1 (0.47) HRH3ALDH1A1KMT2ALMNAMAPT
SCHEMBL8040494 0.80 ACHE (0.55) HRH3ALDH1A1KMT2ALMNAMAPT
SCHEMBL8037120 0.79 MEN1 (0.47) ALDH1A1KMT2ALMNAMAPTCRHBP
SCHEMBL8040498 0.78 MEN1 (0.49) ALDH1A1KMT2ALMNAMAPTCRHBP
SCHEMBL8040471 0.78 MEN1 (0.49) ALDH1A1KMT2ALMNAMAPTCRHBP
SCHEMBL8027126 0.75 RAB9A (0.45) HRH3ALDH1A1KMT2ALMNAMAPT
SCHEMBL8038946 0.74 MAPT (0.46) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7567294 0.73 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL8043322 0.72 MEN1 (0.38) ALDH1A1KMT2AMAPTCRHBPCRHR2
SCHEMBL7466959 0.71 TSHR (0.49) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2

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-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed