SCHEMBL6983610

SCHEMBL6983610

CCc1ccc2c(c1)c1cc(OC)cc3c1n2CCC3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
CASR P41180 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 7/20 0.35
MTNR1B P49286 7/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SRD5A1 P18405 1/20 0.33
ACHE P22303 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
SCHEMBL6971863 0.88 ALDH1A1 (0.41) HTR6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6974128 0.83 PER2 (0.36) HTR6KDM4ERAB9A
SCHEMBL6981782 0.83 HTR2A (0.39) HTR6TP53ALDH1A1TDP1KDM4E
SCHEMBL6970805 0.83 PDK1 (0.36) HTR6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6982697 0.82 TUBB4A (0.42) TP53MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6969812 0.76 APP (0.34) ALDH1A1TDP1KDM4EACHETUBB4A
SCHEMBL6982156 0.68 VHL (0.39) TP53ALDH1A1KDM4EHPGDMAPT
SCHEMBL6983511 0.66 TUBB4A (0.42) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL9736283 0.64 SRD5A1 (0.40) MEN1KMT2APGRRORARORC
SCHEMBL6978242 0.64 ACHE (0.39) HTR6MEN1KMT2AALDH1A1TDP1

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