SCHEMBL1648925

SCHEMBL1648925

CN1CCc2cc([N+](=O)[O-])c(O)cc2[C@@H](c2cccc3c2OCC3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 15/20 0.47
DRD5 P21918 6/20 0.47
HSD17B10 Q99714 4/20 0.45
THPO P40225 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
MTOR P42345 1/20 0.45
DRD2 P14416 5/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADCY2 Q08462 1/20 0.42

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
SCHEMBL7211621 1.00 DRD1 (0.47) DRD1DRD5HSD17B10THPOMAPK1
SCHEMBL29462305 1.00 DRD1 (0.47) DRD1DRD5HSD17B10THPOMAPK1
Bromide SCHEMBL9405370 0.99 DRD1 (0.47) DRD1DRD5HSD17B10THPOMAPK1
SCHEMBL9405412 0.85 DRD1 (0.46) DRD1DRD5HSD17B10THPOMAPK1
SCHEMBL9404237 0.83 CYP3A4 (0.39) DRD1DRD5DRD2CYP2D6CYP3A4
Odapipam SCHEMBL7207803 0.83 DRD1 (0.66) DRD1DRD5HSD17B10THPODRD2
SCHEMBL9404411 0.83 DRD1 (0.52) DRD1DRD5HSD17B10THPOMAPK1
Odapipam SCHEMBL2056522 0.83 DRD1 (0.66) DRD1DRD5HSD17B10THPODRD2
SCHEMBL7919596 0.82 DRD1 (0.67) DRD1DRD5HSD17B10THPOMAPK1
SCHEMBL7922430 0.81 DRD1 (0.55) DRD1DRD5HSD17B10THPOMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220290159-A1 miRNAS FOR REDUCING VENTRICLE ENLARGEMENT St. Jude Children's Research Hpspital, Inc. (US) 2022-09-15 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed