SCHEMBL6620649

SCHEMBL6620649

O=C(c1c2c(cc3ccccc13)CCC=C2)N1CC(N2CCCC(C(=O)N3CCOCC3)C2)C1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.65
ACACA Q13085 6/20 0.65
CHRM3 P20309 1/20 0.40
KDM2B Q8NHM5 8/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL977641 0.86 ACACB (0.86) ACACBACACACHRM3KDM2BGAA
SCHEMBL977639 0.86 ACACB (0.86) ACACBACACACHRM3KDM2BGAA
SCHEMBL6620653 0.80 ACACB (0.68) ACACBACACACHRM3KDM2BGAA
SCHEMBL976549 0.79 ACACB (1.00) ACACBACACACHRM3
SCHEMBL3459079 0.79 ACACB (1.00) ACACBACACACHRM3
Hydrochloric Acid SCHEMBL6181697 0.79 ACACB (0.98) ACACBACACACHRM3
SCHEMBL6182670 0.76 ACACB (0.93) ACACBACACACHRM3
SCHEMBL6186087 0.71 ACACB (0.73) ACACBACACACHRM3KDM2BGAA
SCHEMBL6183505 0.71 ACACB (0.84) ACACBACACAKDM2BGAA
SCHEMBL2622325 0.70 ACACB (0.83) 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 2 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