SCHEMBL19157247

SCHEMBL19157247

O=C(Nc1ccc(F)c(Cl)c1)c1cccc(CCN2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CCR2 P41597 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL19157407 0.87 HTR1A (0.56) RORCNPC1RAB9AHTR1AHTR1D
SCHEMBL19157902 0.86 RORC (0.51) RORCHTR1AHTR1DHTR1BADRB2
SCHEMBL15276826 0.80 MEN1 (0.66) NPC1L3MBTL1MAPTKMT2A
SCHEMBL20083987 0.80 RORC (0.57) RORCRAB9AL3MBTL1MAPT
SCHEMBL21844836 0.76 ACKR3 (0.51) HTR1AHTR1DHTR1BKCNH2KMT2A
SCHEMBL20083988 0.75 RORC (0.48) RORCRAB9AL3MBTL1MAPTHTR1A
SCHEMBL20083898 0.75 KDR (0.44) HTR1AHTR1DHTR1BKCNH2KMT2A
SCHEMBL21844945 0.75 ACKR3 (0.53) NPC1RAB9AMAPTUBE2MDCUN1D1
SCHEMBL19157150 0.73 PARP1 (0.51) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL15276938 0.73 MEN1 (0.54) NPC1RAB9AL3MBTL1MAPTKMT2A

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
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 — — EP disclosed
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