SCHEMBL11554436

SCHEMBL11554436

O=C1NCCN1C1CCN(CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.45
▸ MPO P05164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ PKLR P30613 1/20 0.43
▸ HTR1D P28221 7/20 0.41
▸ HTR1B P28222 7/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11558795 0.84 HTR1D (0.47) MPOHTR1DHTR1BHTR2A
SCHEMBL11479098 0.84 HTR6 (0.49) MPOHTR1DHTR1BHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11462927 0.83 HTR6 (0.49) MPOHTR1DHTR1BHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11462601 0.83 HTR1A (0.56) MPOHTR1DHTR1BHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11463692 0.83 HTR7 (0.54) MPOHTR1DHTR1BHTR2ASLC6A4
SCHEMBL11463974 0.82 HTR2A (0.65) HTR1BHTR2AKDM4E
SCHEMBL11617630 0.81 NQO2 (0.43) NQO2PKMPKLRHTR1DHTR2A
SCHEMBL11563725 0.80 MPO (0.43) MPOHTR1DHTR1BHTR2A
SCHEMBL11556983 0.78 SLC6A4 (0.51) HTR2ASLC6A4
SCHEMBL11471775 0.77 TRPM8 (0.53) HTR1DHTR1BHTR2ASLC6A4KDM4E

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-4147786-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-04-03 — — US disclosed
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