SCHEMBL7668596

SCHEMBL7668596

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCCO)cc13)Oc1ccc(Br)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.35
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
HTT P42858 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
MDM2 Q00987 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL7669113 0.94 RIPK1 (0.33) RIPK1RXFP1MEN1KMT2AFPR1
SCHEMBL7673275 0.90 PKM (0.36) RIPK1RXFP1MEN1KMT2AFPR1
SCHEMBL7670688 0.88 RIPK1 (0.38) RIPK1RXFP1MEN1KMT2AFPR1
SCHEMBL7668136 0.87 LTA4H (0.45) RIPK1
SCHEMBL7687283 0.85 RIPK1 (0.40) RIPK1RXFP1MEN1KMT2AFPR1
SCHEMBL7672522 0.84 RIPK1 (0.33) RIPK1MEN1KMT2AFPR1FPR2
SCHEMBL7674840 0.84 KCNA5 (0.39) RIPK1FPR1FPR2CYP1A2CYP3A4
SCHEMBL7669021 0.84 KCNA5 (0.33) RIPK1MEN1KMT2AFPR1FPR2
SCHEMBL7670903 0.84 FPR1 (0.32) RIPK1MEN1KMT2AFPR1FPR2
SCHEMBL7668727 0.84 KCNA5 (0.39) RIPK1FPR1FPR2CYP1A2CYP3A4

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