SCHEMBL7674354

SCHEMBL7674354

COc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(=O)c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL6980050 0.96 GABRA1 (0.39) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6977175 0.91 GABRA1 (0.39) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL7673131 0.90 GABRA1 (0.39) GABRA1GABRA5ALDH1A1FPR1FPR2
SCHEMBL7668290 0.87 GABRA1 (0.41) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL7668963 0.87 GABRA1 (0.36) GABRA1GABRA5GAAALDH1A1FPR1
SCHEMBL6977199 0.86 GABRA1 (0.39) GABRA1GABRA5ALDH1A1FPR1FPR2
SCHEMBL6971415 0.85 CYP11B1 (0.34) CYP19A1CYP11B1CYP11B2KMT2AMTNR1A
SCHEMBL6979014 0.84 GABRA1 (0.41) GABRA1GABRA5GAAALDH1A1CNR1
SCHEMBL6981678 0.84 GABRA1 (0.46) GABRA1GABRA5GAAALDH1A1CNR1
SCHEMBL6976663 0.84 TSHR (0.40) ALDH1A1CNR2KMT2A

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