SCHEMBL4051770

SCHEMBL4051770

N#CCCCCn1nc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.77
▸ CNR2 P34972 8/20 0.77
▸ CAPN1 P07384 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ CTSL P07711 1/20 0.40

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
SCHEMBL4053457 0.97 CNR1 (0.79) CNR1CNR2CAPN1CTSBHTR3A
SCHEMBL4052275 0.89 CNR1 (0.65) CNR1CNR2CTSBHPGDSCTSL
SCHEMBL30446074 0.87 CNR1 (1.00) CNR1CNR2CAPN1CTSBHTR3A
SCHEMBL4051236 0.84 CNR1 (0.56) CNR1CNR2HTR3AUSP30PTGER4
SCHEMBL4049649 0.82 CNR1 (0.80) CNR1CNR2HTR3A
SCHEMBL4054847 0.82 CNR1 (0.78) CNR1CNR2HTR3A
SCHEMBL4059848 0.81 CNR1 (0.56) CNR1CNR2HTR3AUSP30PTGER4
SCHEMBL6113989 0.80 PARP1 (0.56) CNR1CNR2HTR3A
SCHEMBL13691268 0.79 CNR1 (0.53) CNR1CNR2HTR3AUSP30PTGER4
SCHEMBL4055519 0.79 CNR1 (0.79) CNR1CNR2HTR3A

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO claimed
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