SCHEMBL6983182

SCHEMBL6983182

CCOC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GRM2 Q14416 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRA5 P31644 3/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6983106 0.94 TSHR (0.35) TSHRGRM2FPR1FPR2MEN1
SCHEMBL6975815 0.92 LMNA (0.36) TSHRFPR1FPR2ALDH1A1KDM4E
SCHEMBL8156884 0.91 TSHR (0.41) TSHRGRM2MEN1KMT2AGABRA1
SCHEMBL6981489 0.90 FPR1 (0.36) PTGDR2FPR1FPR2MEN1KMT2A
SCHEMBL6983568 0.90 GABRA1 (0.37) PTGDR2FPR1FPR2MEN1KMT2A
SCHEMBL6983481 0.90 GABRA1 (0.38) TSHRFPR1FPR2MEN1KMT2A
SCHEMBL6982874 0.90 MCL1 (0.36) FPR1FPR2MEN1KMT2AGABRA1
SCHEMBL6980559 0.90 FPR1 (0.35) FPR1FPR2MEN1KMT2AGABRA1
SCHEMBL6975197 0.90 ALDH1A1 (0.36) PTGDR2FPR1FPR2MEN1KMT2A
SCHEMBL6983005 0.88 CYP1A2 (0.43) TSHRFPR1FPR2MEN1KMT2A

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 5 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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP 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