SCHEMBL7670903

SCHEMBL7670903

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCCO)cc13)Sc1ccc(Br)cc1-2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
RIPK1 Q13546 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
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL7674409 0.94 PLA2G7 (0.32) FPR1FPR2PLA2G7CYP1A2CYP3A4
SCHEMBL7666967 0.91
SCHEMBL7662129 0.90 PKM (0.36) FPR1FPR2RIPK1CYP1A2CYP3A4
SCHEMBL7670463 0.90 ALDH1A1 (0.32)
SCHEMBL7669075 0.90 MET (0.37) FPR1FPR2CYP1A2CYP3A4MEN1
SCHEMBL7669032 0.89 LRRK2 (0.35) CYP1A2MEN1PKMKMT2A
SCHEMBL7669198 0.88 HSD17B10 (0.32) FPR1FPR2RIPK1PKM
SCHEMBL7668797 0.88 ALDH1A1 (0.34) FPR1FPR2RIPK1CYP1A2CYP3A4
SCHEMBL7671382 0.88 ALDH1A1 (0.36) FPR1FPR2RIPK1CYP1A2CYP3A4
SCHEMBL7674978 0.87 ALDH1A1 (0.35) MEN1PKMKMT2A

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