SCHEMBL27943401

SCHEMBL27943401

Clc1ccccc1-c1c[c]cc(N2CCN3CCCCC3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.41
▸ HTR6 P50406 4/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ MBTD1 Q05BQ5 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14060017 0.79 ALDH1A1 (0.40) CNR1CNR2L3MBTL1
SCHEMBL14060873 0.75 AR (0.38) CNR2L3MBTL1
SCHEMBL14059902 0.74 CYP1A2 (0.47) HTR6CNR1CNR2ADRA2C
SCHEMBL27953793 0.72 CNR2 (0.52) CNR2POLB
SCHEMBL14060078 0.72 MEN1 (0.43) CNR2POLB
SCHEMBL12663049 0.72 L3MBTL3 (0.64) HRH3HTR6ESR1ESR2ADRA2A
SCHEMBL12498579 0.69 HDAC4 (0.46) HRH3HTR6ESR1ESR2ADRA2A
SCHEMBL12663092 0.68 MBTD1 (0.61) HRH3HTR6ESR1ESR2ADRA2A
SCHEMBL17127953 0.68 MBTD1 (0.61) HRH3HTR6ESR1ESR2ADRA2A
SCHEMBL5924613 0.67 CYP2A6 (0.56) —

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
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 — — CN claimed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 — — CN disclosed
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