SCHEMBL5644081

SCHEMBL5644081

N=Nc1ccc(CCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.55
▸ NOS1 P29475 2/20 0.55
▸ NOS2 P35228 2/20 0.55
▸ TAAR1 Q96RJ0 9/20 0.50
▸ HTR2A P28223 4/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LOXL2 Q9Y4K0 2/20 0.48

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
SCHEMBL24423474 0.80 NOS3 (0.52) NOS3NOS1NOS2TAAR1LOXL2
SCHEMBL224548 0.79 TAAR1 (0.72) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL8423871 0.76 NOS3 (0.55) NOS3NOS1NOS2TAAR1HTR2A
SCHEMBL8588836 0.76 LPL (0.45) NOS3NOS1NOS2L3MBTL1CA2
SCHEMBL12108414 0.76 CA2 (0.52) NOS3NOS1NOS2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3168355 0.76 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Iodide SCHEMBL29101247 0.76 TAAR1 (0.68) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL3668004 0.76 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL28854359 0.74 NOS3 (0.57) NOS3NOS1NOS2TAAR1HTR2A
SCHEMBL8585938 0.73 CYP3A4 (0.53) HTR2AKDM4EALDH1A1ADRA2ASLC6A2

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-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases PROMETIC PHARMA SMT LIMITED (GB) 2007-06-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149528-A1 Triazine dimers for the treatment of autoimmune diseases SSB, TLR5, ICOS NOS3 1441/4885NOS1 1801/4885NOS2 801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback