SCHEMBL7565332

SCHEMBL7565332

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.42
▸ CCR3 P51677 1/20 0.41
▸ DRD4 P21917 3/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MTTP P55157 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7570480 0.92 SLC6A12 (0.48) HTR7CCR3HTR4
SCHEMBL6219344 0.91 MTTP (0.46) HTR7CCR3DRD4ADRA1AADRA1D
SCHEMBL7242152 0.91 HTR7 (0.49) HTR7CCR3DRD4ADRA1AADRA1D
SCHEMBL7570492 0.90 MTTP (0.47) HTR7CCR3DRD4ADRA1AMTTP
SCHEMBL7571721 0.90 POLB (0.47) HTR7CCR3DRD4MAOBPOLB
SCHEMBL7569221 0.88 KCNA3 (0.42) HTR7CCR3DRD4ADRA1AADRA1D
Bicarbonate SCHEMBL7565338 0.86 HTR7 (0.43) HTR7CCR3DRD4ADRA1AADRA1D
Bicarbonate SCHEMBL7569224 0.85 HTR7 (0.43) HTR7CCR3DRD4ADRA1AADRA1D
SCHEMBL6219359 0.85 MTTP (0.46) HTR7CCR3DRD4ADRA1AMTTP
SCHEMBL6216661 0.84 MTTP (0.56) HTR7CCR3DRD4ADRA1AADRA1D

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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