SCHEMBL7224807

SCHEMBL7224807

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ncccc2F)o1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KDM1A O60341 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
AKT1 P31749 1/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL7225644 0.88 AKT1 (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL7223815 0.86 GAA (0.37) MGAMGAASIMGAM2HSP90AA1
SCHEMBL7224843 0.85 ACKR3 (0.40)
SCHEMBL7072612 0.83 RAB9A (0.49) MGAMGAASIMGAM2HSP90AA1
SCHEMBL7224822 0.82 CHRNA7 (0.47) HSP90AA1L3MBTL1CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7070829 0.82 RAB9A (0.48) MGAMGAASIMGAM2HSP90AA1
SCHEMBL7223699 0.82 NPC1 (0.38) MGAMGAASIMGAM2L3MBTL1
SCHEMBL7224676 0.82 SLC9A1 (0.45) MGAMGAASIMGAM2SLC6A3
SCHEMBL7223707 0.81 NPC1 (0.38) MGAMGAASIMGAM2KDM1A
SCHEMBL7232049 0.80 MGAM (0.35) MGAMGAASIMGAM2KDM1A

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