SCHEMBL7230386

SCHEMBL7230386

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2cccc(NC(=O)C(F)(F)F)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
PAX8 Q06710 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN1 P18031 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
WNT3A P56704 3/20 0.35
P2RX7 Q99572 1/20 0.35
ULK1 O75385 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL7223409 0.90 PTPN11 (0.44) USP30NPC1RAB9AMEN1KMT2A
SCHEMBL7225370 0.88 USP30 (0.42) USP30NPC1RAB9AMEN1KMT2A
SCHEMBL7232527 0.87 USP30 (0.42) USP30NPC1RAB9AMEN1KMT2A
SCHEMBL7224673 0.86 CHRNA7 (0.44) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL7226230 0.86 TAS1R3 (0.39) USP30HDAC1HDAC6KCNH2WNT3A
SCHEMBL7223211 0.85 USP30 (0.41) USP30NPC1RAB9APAX8ULK1
SCHEMBL7223360 0.85 MAPK11 (0.39) USP30HDAC1HDAC6ULK1
SCHEMBL7230934 0.84 KDM1A (0.43) USP30NPC1RAB9APTPN1SLC6A3
SCHEMBL7229786 0.84 TYRO3 (0.42) USP30P2RX7
SCHEMBL7226302 0.83 NPC1 (0.52) USP30NPC1RAB9AMEN1KMT2A

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