SCHEMBL9433627

SCHEMBL9433627

OCC=Cc1ccc(Cc2ncc[nH]2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 9/20 0.40
▸ HTR1A P08908 1/20 0.35
▸ TBXAS1 P24557 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL9433480 0.75 TAAR1 (0.32) TAAR1HTR1ATBXAS1
SCHEMBL7290701 0.72 TAAR1 (0.54) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL9433678 0.72 TAAR1 (0.43) TAAR1HTR1ATBXAS1ALOX15ADRA2A
SCHEMBL9522462 0.71 TAAR1 (0.47) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL7291454 0.70 ADRA2A (0.50) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL9401577 0.70 TAAR1 (0.38) TAAR1HTR1ATBXAS1ALOX15ADRA2A
SCHEMBL7298246 0.69 TAAR1 (0.42) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL7299648 0.69 TAAR1 (0.53) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL11140179 0.68 — —
SCHEMBL9196454 0.68 TAAR1 (0.44) TAAR1HTR1AALOX15ADRA2AADRA2B

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-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 — — US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 — — EP disclosed
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