SCHEMBL6624171

SCHEMBL6624171

CC(C)N(C(=O)C1CCCN(C2CCNCC2)C1C(=O)c1c2ccccc2cc2ccccc12)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
MAPT P10636 1/20 0.35
KDM2B Q8NHM5 5/20 0.35
REN P00797 3/20 0.34
TACR2 P21452 1/20 0.32
TACR3 P29371 1/20 0.32
OPRM1 P35372 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
SCHEMBL6620201 0.89 ACACB (0.38) SLC6A4SLC6A2ACACBACACAKDM2B
SCHEMBL3464303 0.83 ACACB (0.49) ACACBACACAKDM2BOPRM1
SCHEMBL3458847 0.83 ACACB (0.49) ACACBACACAKDM2BOPRM1
SCHEMBL3464157 0.83 ACACB (0.49) ACACBACACAKDM2BOPRM1
SCHEMBL3462990 0.83 ACACB (0.49) ACACBACACAKDM2BOPRM1
SCHEMBL6621570 0.81 ACACB (0.39) ACACBACACAKDM2B
SCHEMBL975322 0.69 ACACB (0.69) ACACBACACAKDM2B
SCHEMBL6185259 0.63 ACACB (0.56) ACACBACACAKDM2B
SCHEMBL978121 0.58 ACACB (0.77) ACACBACACAKDM2B
SCHEMBL6182583 0.58 ACACB (0.75) ACACBACACAKDM2B

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