SCHEMBL21844909

SCHEMBL21844909

O=C(Nc1cc(F)cc(F)c1)c1cccc(CCN(CCO)C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HTR2B P41595 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM1A O60341 3/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ P2RX1 P51575 1/20 0.37

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
SCHEMBL21844908 0.85 KDM1A (0.48) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL20084044 0.85 MAOB (0.44) NPC1RAB9AKDM1ALMNAMAOB
SCHEMBL20084043 0.83 SMN1; SMN2 (0.47) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL19157637 0.83 NPC1 (0.50) KMT2AMEN1HDAC8HDAC6L3MBTL1
SCHEMBL15276907 0.76 SLC6A9 (0.46) KMT2AMEN1SLC6A9HDAC8HDAC6
SCHEMBL20083997 0.75 NPC1 (0.53) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL21844837 0.73 HTR2A (0.47) OPRM1NPC1RAB9AACKR3
SCHEMBL30037664 0.71 MEN1 (0.69) KMT2AMEN1HTR2BNPC1RAB9A
SCHEMBL15838798 0.71 ROCK2 (0.52) KMT2AMEN1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL15826223 0.71 ROCK2 (0.51) KMT2AMEN1L3MBTL1LMNA

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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