SCHEMBL7292001

SCHEMBL7292001

CC(O)C=Cc1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 10/20 0.50
▸ HTR1A P08908 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL10605158 0.81 TAAR1 (0.43) TAAR1HTR1AHDAC8HDAC3HDAC4
SCHEMBL10606269 0.80 TAAR1 (0.41) TAAR1HTR1AHDAC8HDAC3HDAC4
SCHEMBL10732841 0.79 TAAR1 (0.40) TAAR1HTR1A
SCHEMBL7290701 0.78 TAAR1 (0.54) TAAR1HTR1AHDAC8HDAC3HDAC4
SCHEMBL9401824 0.78 TAAR1 (0.57) TAAR1HTR1AHDAC8HDAC3HDAC4
SCHEMBL10600974 0.78 TAAR1 (0.39) TAAR1HTR1ASPHK1SPHK2
SCHEMBL10605067 0.78 TAAR1 (0.39) TAAR1HTR1A
SCHEMBL7094005 0.77 TAAR1 (0.61) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10606715 0.77 TAAR1 (0.44) TAAR1HTR1AHDAC8HDAC3HDAC4
SCHEMBL10603053 0.77 TAAR1 (0.39) TAAR1HTR1ASPHK1SPHK2CYP3A4

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 — — US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 — — EP disclosed
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