SCHEMBL15036995

SCHEMBL15036995

N=C(N)NCCCOc1cc(OCCCN)cc(-c2cccc(-c3cc(OCCCN)cc(OCCCNC(=N)N)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 9/20 0.38
▸ F10 P00742 2/20 0.38
▸ CSF3R Q99062 1/20 0.38
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ C1S P09871 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP4B1 P13584 1/20 0.35
▸ CYP2B6 P20813 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
SCHEMBL15037015 0.95 PRSS1 (0.42) PRSS1F10F2PLGPRSS2
SCHEMBL16419736 0.88 L3MBTL1 (0.40) PRSS1F10MTNR1AMTNR1BCYP1A1
SCHEMBL16419773 0.88 L3MBTL1 (0.43) PRSS1F10F2PLGPRSS2
SCHEMBL16419782 0.83 CYP1A1 (0.48) CSF3RCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15805902 0.83 CYP1A1 (0.48) CSF3RCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL16419740 0.82 L3MBTL1 (0.45) PRSS1F10F2PLGPRSS2
SCHEMBL10064720 0.82 F10 (0.53) PRSS1F10F2PLGPRSS2
SCHEMBL16605484 0.82 PRSS1 (0.44) PRSS1F10F2PLGPRSS2
SCHEMBL16419774 0.81 ABL1 (0.35) PRSS1F10F2L3MBTL1
SCHEMBL16169701 0.79 CSF3R (0.36) CSF3RL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013090185-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME POLYMEDIX, INC. (US) 2013-06-20 — — WO disclosed
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