SCHEMBL7308504

SCHEMBL7308504

CN(C(=O)CCCOc1c(F)ccc([N+](=O)[O-])c1C=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.41
PDE3A Q14432 16/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTAFR P25105 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE1C Q14123 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 1/20 0.39

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
SCHEMBL7318435 0.86 PDE3B (0.42) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7316157 0.85 PDE3B (0.40) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7311792 0.81 PDE3B (0.48) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7319027 0.81 FFAR4 (0.46) HPGDFFAR1FFAR4
SCHEMBL7306556 0.80 PDE3B (0.45) PDE3BPDE3AKDM4EMEN1PDE5A
Hydrochloric Acid SCHEMBL7315798 0.80 FFAR4 (0.46) HPGDFFAR1FFAR4
SCHEMBL7310206 0.79 MAPT (0.43) KDM4EALDH1A1KMT2AFFAR1FFAR4
SCHEMBL7315792 0.79 FFAR4 (0.41) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7308509 0.78 KMT2A (0.37) MEN1ALDH1A1KMT2A
SCHEMBL10374810 0.78 PDE3B (0.45) PDE3BPDE3AKDM4EMEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed