SCHEMBL7670841

SCHEMBL7670841

CN1c2ccccc2N2CCC(=O)c3cccc1c32

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
CCKBR P32239 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
TTR P02766 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
EGFR P00533 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL7664012 0.81 NOTUM (0.45) SRD5A1CES1LMNAMAPTKMT2A
SCHEMBL7663992 0.75 P2RX4 (0.41) SRD5A1LMNAMAPTKMT2ARAB9A
SCHEMBL2609255 0.74 ALDH1A1 (0.43) SRD5A1LMNAKMT2ARAB9AALDH1A1
SCHEMBL13703838 0.74 MAPT (0.35) LMNAMAPTKMT2ARAB9AALDH1A1
SCHEMBL69754 0.71 NOTUM (0.46) SRD5A1TTRCES1LMNAMAPT
SCHEMBL19269127 0.69 RAB9A (0.39) SRD5A1LMNAMAPTKMT2AMAPK1
SCHEMBL6362813 0.68 KMT2A (0.54) SRD5A1CES1LMNAKMT2ARAB9A
SCHEMBL21311767 0.67 CES1 (0.47) SRD5A1TTRCES1LMNAMAPT
SCHEMBL1253936 0.66 RAB9A (0.47) SRD5A1TTRCES1LMNAMAPT
SCHEMBL4420931 0.66 DDB1 (0.46) GABRA1GABRG2GABRB3GABRA5CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed