SCHEMBL19157408

SCHEMBL19157408

O=C(Nc1ccc(F)cc1)c1cccc(CCN2CCC(CO)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ CCR3 P51677 3/20 0.50
▸ HTR2B P41595 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACKR3 P25106 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL21844837 0.81 HTR2A (0.47) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL21844944 0.80 HTR1A (0.54) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL19157261 0.80 ACKR3 (0.49) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL30037664 0.78 MEN1 (0.69) MEN1KMT2AHTR2BNPC1TP53
SCHEMBL20083898 0.78 KDR (0.44) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL15276863 0.78 SMN1; SMN2 (0.59) MEN1KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL21844836 0.77 ACKR3 (0.51) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL19157902 0.76 RORC (0.51) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL2561586 0.75 HTR2A (0.61) HTR2AHTR2CHTR7HTR6
SCHEMBL19157407 0.75 HTR1A (0.56) HTR2AHTR2CHTR7HTR2BNPC1

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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