SCHEMBL6620201

SCHEMBL6620201

CC(C)N(C(=O)C1CCCN(C2CCNCC2)C1C(=O)c1c2ccccc2cc2ccccc12)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.38
ACACA Q13085 9/20 0.38
KDM2B Q8NHM5 8/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
REN P00797 1/20 0.32

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
SCHEMBL6624171 0.89 SLC6A4 (0.36) ACACBACACAKDM2BSLC6A2SLC6A4
SCHEMBL3464157 0.88 ACACB (0.49) ACACBACACAKDM2B
SCHEMBL3464303 0.88 ACACB (0.49) ACACBACACAKDM2B
SCHEMBL3462990 0.88 ACACB (0.49) ACACBACACAKDM2B
SCHEMBL3458847 0.88 ACACB (0.49) ACACBACACAKDM2B
SCHEMBL6621570 0.86 ACACB (0.39) ACACBACACAKDM2B
SCHEMBL2622329 0.65 ACACB (0.77) ACACBACACAKDM2B
SCHEMBL978121 0.65 ACACB (0.77) ACACBACACAKDM2B
SCHEMBL13116663 0.58 CHRNB2 (0.50)
SCHEMBL22373019 0.58 SSTR4 (0.40) ACACBACACASLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP claimed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO claimed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed