SCHEMBL7224931

SCHEMBL7224931

NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.37
ST14 Q9Y5Y6 5/20 0.37
PARP10 Q53GL7 10/20 0.36
PARP15 Q460N3 5/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PARP2 Q9UGN5 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
PLG P00747 2/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MMP2 P08253 1/20 0.32

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
SCHEMBL7223301 0.90 MAPT (0.36) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL7232095 0.90 CHRNA7 (0.34) ST14ALDH1A1
SCHEMBL7233323 0.89 ESR1 (0.37) ALDH1A1
SCHEMBL7230406 0.88 PARP14 (0.38) F2PARP10PARP15PARP14CHRNB2
SCHEMBL7225066 0.88 SLC6A4 (0.41) KMT2ACHRNB2CHRNA4
SCHEMBL7229845 0.88 SLC6A3 (0.42) MMP13
SCHEMBL7225149 0.88 HTR4 (0.37) ALDH1A1
SCHEMBL7225381 0.87 HTR3E (0.37) MMP2MMP7MMP9MMP13
SCHEMBL7223387 0.86 ALDH1A1 (0.35) ALDH1A1KMT2ACHRNB2CHRNA4
SCHEMBL7231419 0.86 SCN9A (0.37) PARP10PARP15KMT2APARP2

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
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed