SCHEMBL7234407

SCHEMBL7234407

COC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ CCR1 P32246 3/20 0.43
▸ CCR3 P51677 2/20 0.43
▸ HTR4 Q13639 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL7235323 0.94 KCNA3 (0.45) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7233534 0.94 MTTP (0.45) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7238486 0.93 HTR7 (0.43) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7243256 0.92 HTR1A (0.42) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7238602 0.92 HTR7 (0.43) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7570284 0.90 SLC6A12 (0.47) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7235483 0.89 HTR7 (0.43) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7234716 0.89 HTR7 (0.49) SLC6A12HTR1AHTR7CCR3HTR4
SCHEMBL7241197 0.89 KCNA3 (0.45) SLC6A12HTR1AHTR7CCR1CCR3
SCHEMBL7235931 0.88 HTR7 (0.48) HTR1AHTR7CCR3POLBKCNA3

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
US-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 — — US disclosed
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