SCHEMBL7570480

SCHEMBL7570480

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 1/20 0.48
▸ HTR7 P34969 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ HTR4 Q13639 6/20 0.42
▸ CCR3 P51677 1/20 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
SCHEMBL7565332 0.92 HTR7 (0.42) HTR7HTR4CCR3
SCHEMBL6219359 0.92 MTTP (0.46) SLC6A12HTR7HTR1AHTR4CCR3
SCHEMBL7242152 0.91 HTR7 (0.49) HTR7CCR3
SCHEMBL7235483 0.90 HTR7 (0.43) SLC6A12HTR7HTR1AUBE2MDCUN1D1
SCHEMBL7570492 0.90 MTTP (0.47) HTR7UBE2MDCUN1D1CCR3
SCHEMBL7571721 0.90 POLB (0.47) HTR7HTR4CCR3
SCHEMBL7238532 0.89 HTR7 (0.42) SLC6A12HTR7HTR1AUBE2MDCUN1D1
SCHEMBL7237774 0.88 KCNA3 (0.42) SLC6A12HTR7HTR1AUBE2MDCUN1D1
SCHEMBL7570284 0.88 SLC6A12 (0.47) SLC6A12HTR7HTR1AHTR4CCR3
SCHEMBL7238553 0.88 HTR7 (0.43) SLC6A12HTR7HTR1AUBE2MDCUN1D1

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
Send feedback