SCHEMBL1036432

SCHEMBL1036432

O=C(C(CCn1cccn1)n1ccc2c(S)cccc21)N1CCC(CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
HTR2C P28335 6/20 0.34
GFER P55789 2/20 0.33
HPGDS O60760 1/20 0.32
HTR2A P28223 1/20 0.32
CHRM1 P11229 1/20 0.31
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
FAAH O00519 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
Hydrochloric Acid SCHEMBL1075802 0.73 CCR10 (0.43) CCR10BRD4CREBBPGFERHPGDS
SCHEMBL1075995 0.66 CCR10 (0.61) CCR10
SCHEMBL25412012 0.58 ENPP2 (0.38) CCR10GFERHPGDSHRH3
Hydrochloric Acid SCHEMBL1312700 0.58 DPP7 (0.47) CCR10GFER
SCHEMBL17229398 0.57 NOS1 (0.39) BRD4CREBBPCHRM1
SCHEMBL17221380 0.57 NOS1 (0.39) BRD4CREBBPCHRM1
SCHEMBL1036704 0.56 ALOX5 (0.34) HTR2C
Hydrochloric Acid SCHEMBL1313841 0.56 CCR10 (0.36) CCR10
SCHEMBL27372101 0.56 DPP4 (0.48) CCR10GFERHRH3
SCHEMBL27249717 0.55 RBP4 (0.61) HTR2CHTR2A

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-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP claimed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO claimed