SCHEMBL21844943

SCHEMBL21844943

Cc1cccc(NC(=O)c2cccc(CCN3CCC(O)CC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ACKR3 P25106 1/20 0.53
▸ KCNK3 O14649 3/20 0.51
▸ KCNK9 Q9NPC2 3/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ HTR1A P08908 2/20 0.49
▸ HTR1D P28221 2/20 0.49
▸ HTR1B P28222 2/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49

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
SCHEMBL21844945 0.87 ACKR3 (0.53) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL21844944 0.87 HTR1A (0.54) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL21844836 0.86 ACKR3 (0.51) KMT2AMEN1ACKR3KCNH2HTR1A
SCHEMBL21844837 0.84 HTR2A (0.47) ALDH1A1RAB9AACKR3HTR1AHTR1D
SCHEMBL21844835 0.83 ROCK2 (0.54) ACKR3KCNH2HTR1AHTR1DHTR1B
SCHEMBL20083898 0.81 KDR (0.44) KMT2AMEN1ACKR3KCNH2HTR1A
SCHEMBL1696311 0.78 MEN1 (0.70) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL19157150 0.77 PARP1 (0.51) MAPTRAB9AKMT2AMEN1KCNH2
SCHEMBL28004871 0.77 ACKR3 (0.51) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL20083972 0.76 NPC1 (0.52) KDM4EMAPTRAB9AKMT2AMEN1

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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