Dimethylamine

Dimethylamine

SCHEMBL18941222

CCCn1ccc2cc(Br)ccc21.CNC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ HTR7 P34969 5/20 0.53
▸ EGFR P00533 2/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ SLC6A2 P23975 2/20 0.43
▸ KRAS P01116 4/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL14061899 0.95 HTR2A (0.59) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL4939152 0.85 HTR2A (0.56) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL18856950 0.84 HTR2A (0.55) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL14790349 0.83 SCN9A (0.47) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL15550237 0.83 HTR2A (0.54) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL28550149 0.83 HTR2A (0.54) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL22930065 0.83 HTR2A (0.54) HTR2AHTR2CHTR7EGFRNTSR1
SCHEMBL18239699 0.81 HTR7 (0.57) HTR2AHTR2CHTR7
SCHEMBL3478164 0.81 HTR2A (0.63) HTR2AHTR2CHTR7NTSR1SLC6A2
SCHEMBL21941497 0.78 HTR2A (0.59) HTR2AHTR2CHTR7NTSR1KRAS

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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 — — 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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 HTR2A 1880/4885HTR2C 1642/4885HTR7 1063/4885

“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