SCHEMBL7570492

SCHEMBL7570492

CCC(CCCN1CCC(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)CC1)(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MTR Q99707 1/20 0.47
▸ CRHR1 P34998 5/20 0.46
▸ DRD4 P21917 2/20 0.44
▸ SLC6A5 Q9Y345 2/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ HTR2A P28223 2/20 0.41

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
SCHEMBL6216661 0.91 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7565332 0.90 HTR7 (0.42) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7570480 0.90 SLC6A12 (0.48) UBE2MDCUN1D1CCR3HTR7
SCHEMBL7242152 0.89 HTR7 (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7571721 0.88 POLB (0.47) SLC6A2DRD4SLC6A4CCR3HTR7
Bicarbonate SCHEMBL7570498 0.87 MTTP (0.48) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6219344 0.84 MTTP (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6221130 0.84 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6219359 0.84 MTTP (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
Bicarbonate SCHEMBL7568719 0.83 CCR3 (0.46) MTTPCHRM2ADRA2AADORA3CHRM1

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-A2 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES Boehringer Ingelheim Pharma KG (DE) 2002-05-08 — — EP disclosed
WO-2001005762-A2 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-25 — — WO disclosed
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