SCHEMBL6217316

SCHEMBL6217316

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MTTP P55157 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MTR Q99707 1/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ HTR7 P34969 3/20 0.44
▸ CCR3 P51677 1/20 0.43
▸ HTR4 Q13639 2/20 0.42

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 0.94 POLB (0.45) POLBMTTPCHRM2ADRA2AADORA3
SCHEMBL7242152 0.93 HTR7 (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241625 0.92 HTR7 (0.44) POLBMTTPCHRM2ADRA2AADORA3
SCHEMBL7571721 0.91 POLB (0.47) POLBSLC6A2DRD4HTR7CCR3
SCHEMBL6219344 0.91 MTTP (0.46) POLBMTTPCHRM2ADRA2AADORA3
SCHEMBL7242750 0.91 POLB (0.46) POLBMTTPCHRM2ADRA2AADORA3
SCHEMBL7237804 0.91 POLB (0.42) POLBMTTPCHRM2ADRA2AADORA3
SCHEMBL6219359 0.90 MTTP (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6216661 0.89 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6217670 0.89 POLB (0.47) POLBMTTPCHRM2ADRA2AADORA3

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
EP-1202969-B1 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-09 — — EP disclosed
US-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 — — US disclosed
Send feedback