SCHEMBL19157150

SCHEMBL19157150

Cc1ccc(NC(=O)c2cccc(CCN3CC(O)C3)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.51
▸ CHRM1 P11229 2/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ GSPT1 P15170 1/20 0.47
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20083972 0.85 NPC1 (0.52) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL19156951 0.81 NPC1 (0.52) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL20083976 0.79 ACKR3 (0.49) PARP1KMT2AMEN1POLBHTR1A
SCHEMBL19157226 0.79 HTR1A (0.41) PARP1RAB9ANPC1KMT2AMEN1
SCHEMBL15276842 0.78 KMT2A (0.60) RAB9ANPC1KMT2AMEN1CNR1
SCHEMBL21844836 0.78 ACKR3 (0.51) PARP1KMT2AMEN1HTR1ADRD2
SCHEMBL21844943 0.77 ALDH1A1 (0.54) RAB9AKMT2AMEN1MAPTL3MBTL1
SCHEMBL21844945 0.77 ACKR3 (0.53) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL21844913 0.76 MCHR1 (0.48) RAB9ANPC1KMT2AMEN1CNR1
SCHEMBL21844832 0.74 ACKR3 (0.50) RAB9ANPC1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 — — EP disclosed
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