SCHEMBL6840686

SCHEMBL6840686

Cc1cc(NCCCCN2CCCCC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.46
▸ BACE1 P56817 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL5929424 0.94 HRH3 (0.46) HRH3BACE1ALDH1A1EGFR
Hydrochloric Acid SCHEMBL5929367 0.93 HRH3 (0.45) HRH3BACE1ALDH1A1EGFR
SCHEMBL6142477 0.90 ACHE (0.45) HRH3ALDH1A1
SCHEMBL5929421 0.89 ADRA2A (0.43) HRH3ALDH1A1
SCHEMBL18570641 0.89 HTR7 (0.44) HRH3BACE1ALDH1A1
Hydrochloric Acid SCHEMBL5929403 0.87 ADRA2A (0.43) ALDH1A1
SCHEMBL5929366 0.85 SRC (0.45) ALDH1A1
SCHEMBL18570638 0.83 GAA (0.45) ALDH1A1
SCHEMBL14419464 0.83 POLB (0.54) ALDH1A1
SCHEMBL2933227 0.82 ALDH1A1 (0.58) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6695888-B2 COMPLEX TRANSITION METAL HAIR DYE UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. 2004-02-24 — — US disclosed
US-20040019980-A1 One step hair coloring compositions using salts UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-02-05 — — US disclosed
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