SCHEMBL6983000

SCHEMBL6983000

N#Cc1cc2c3c(c1)c1c(n3CCC2=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.39
HTR2A P28223 5/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCARB1 Q8WTV0 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6968736 0.80 HTR2C (0.39) HTR2CHTR2AMEN1KMT2AHSD17B10
SCHEMBL3546148 0.73 ACHE (0.40) HTR2CHTR2AMEN1KMT2AHSD17B10
SCHEMBL6507807 0.69 HTR2C (0.48) HTR2CHTR2AMEN1KMT2AHSD17B10
SCHEMBL6498458 0.68 HTR2C (0.40) HTR2CHTR2AHSD17B10KDM4EALOX15
Oxalic Acid SCHEMBL6496558 0.65 HTR2C (0.44) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL3544773 0.63 HTR2C (0.47) HTR2CHTR2AMEN1KMT2AHSD17B10
Maleic Acid SCHEMBL6495798 0.62 HTR2C (0.35) HTR2CHTR2A
Fumaric Acid SCHEMBL6495804 0.62 HTR2C (0.35) HTR2CHTR2A
SCHEMBL6507779 0.62 HTR2C (0.58) HTR2CHTR2AMEN1KMT2AHSD17B10
SCHEMBL3549563 0.61 HTR2C (0.42) HTR2CHTR2AMEN1KMT2AHSD17B10

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-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed