SCHEMBL6620194

SCHEMBL6620194

O=C(O)C1CCC[N+](C(=O)c2c3ccccc3cc3ccccc23)(C2CCNCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACACB O00763 7/20 0.35
ACACA Q13085 7/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL6623086 0.85 RAB9A (0.36) ACACBACACAHTR3EHTR3BHTR3A
SCHEMBL6492751 0.83 LMNA (0.32) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6620762 0.81 CCR1 (0.41) CYP1A2KDM4EMEN1ALDH1A1CYP2C19
SCHEMBL6624779 0.67 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6499458 0.66 FASN (0.39) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6621919 0.64 OPRD1 (0.38) ACACBACACACCR1SLC6A4
SCHEMBL23216109 0.61 HTR3E (0.49) MEN1HPGDKMT2AHTR3EHTR3B
SCHEMBL29745519 0.61 HTR3E (0.49) MEN1HPGDKMT2AHTR3EHTR3B
SCHEMBL5617165 0.60
SCHEMBL6860747 0.59 GABRA5 (0.40) MEN1KMT2AGABRPGABRDGABRA1

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 disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed