SCHEMBL31297400

SCHEMBL31297400

FCC1CNCCN1Cc1cccnn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ IKZF2 Q9UKS7 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ IDE P14735 1/20 0.30
▸ UBE2N P61088 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
SCHEMBL31297383 1.00 MITF (0.33) MITFSLC6A2SLC6A4SLC6A3ATM
Hydrochloric Acid SCHEMBL29232420 0.86 TAAR1 (0.34) SLC6A2SLC6A4SLC6A3TAAR1HTR2A
Hydrochloric Acid SCHEMBL30163873 0.86 TAAR1 (0.34) SLC6A2SLC6A4SLC6A3TAAR1HTR2A
SCHEMBL31297395 0.84 CYP2D6 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL31297390 0.84 CYP2D6 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL31462966 0.81 PIM3 (0.37) HTR2AHTR2CHTR2B
SCHEMBL31155302 0.81 PIM3 (0.37) HTR2AHTR2CHTR2B
SCHEMBL31297402 0.81 TDP1 (0.33) GRIN1GRIN2B
Hydrochloric Acid SCHEMBL29232277 0.80 PIM3 (0.37) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL30164009 0.80 PIM3 (0.37) HTR2AHTR2CHTR2B

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
CN-119143734-A Heterocyclic compounds as AT2R antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2024-12-17 — — CN disclosed
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