SCHEMBL25307377

SCHEMBL25307377

NCCc1cc(Br)ncn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HRH1 P35367 3/20 0.38
TAAR1 Q96RJ0 3/20 0.32
HTR2A P28223 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL31026893 1.00 HRH4 (0.39) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL374261 0.74 HRH1 (0.38) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL16030878 0.73
SCHEMBL9122654 0.69
SCHEMBL6810696 0.68 HTR2A (0.54) CYP2C19HRH1TAAR1HTR2A
SCHEMBL15526376 0.68 HRH1 (0.50) HRH4CYP2C9TSHRCYP2C19MTOR
SCHEMBL29204529 0.64
SCHEMBL16635231 0.64 LOXL2 (0.50) MTORTDP1TAAR1HTR2A
SCHEMBL11378229 0.64 HRH1 (0.50) TSHRHRH1TAAR1HTR2ATRPM8
Hydrochloric Acid SCHEMBL14157230 0.63 HRH1 (0.48) HRH1TAAR1HTR2ATRPM8

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
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed