SCHEMBL7241625

SCHEMBL7241625

CCOC(=O)CC(CC)(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(OC)cc2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ MTTP P55157 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MTR Q99707 1/20 0.43

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
SCHEMBL7234335 0.95 POLB (0.45) HTR7POLBMTTPCHRM2ADRA2A
SCHEMBL7242750 0.94 POLB (0.46) HTR7ALDH1A1NPSR1L3MBTL1POLB
SCHEMBL7232202 0.94 HTR7 (0.49) HTR7ALDH1A1NPSR1POLBMTTP
SCHEMBL7231934 0.93 HTR7 (0.46) HTR7ALDH1A1NPSR1POLBMTTP
SCHEMBL6217316 0.92 POLB (0.45) HTR7POLBMTTPCHRM2ADRA2A
SCHEMBL7241386 0.92 CCR3 (0.47) HTR7NPSR1MTTPCHRM2ADRA2A
SCHEMBL7243455 0.92 HTR7 (0.45) HTR7POLBMTTPCHRM2ADRA2A
SCHEMBL7242063 0.92 HTR7 (0.45) HTR7ALDH1A1NPSR1POLBMTTP
SCHEMBL7231585 0.92 MTTP (0.45) HTR7ALDH1A1NPSR1POLBMTTP
SCHEMBL7237804 0.91 POLB (0.42) HTR7ALDH1A1NPSR1L3MBTL1POLB

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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