SCHEMBL7224259

SCHEMBL7224259

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(F)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
SSTR3 P32745 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA7 P36544 1/20 0.32
RECQL P46063 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
SCHEMBL7234113 0.89 PTPN11 (0.41) SLC6A3LMNAALDH1A1MAPTSLC6A2
SCHEMBL7230851 0.89 CHRNA7 (0.35) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7231968 0.88 ALDH1A1 (0.42) SLC6A3LMNAALDH1A1MAPTSLC6A2
SCHEMBL7225901 0.83 PTPN11 (0.42) LMNAALDH1A1MAPTCYP2C19KMT2A
SCHEMBL7115230 0.83 CHRNA7 (0.35) SLC6A3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL7225963 0.82 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL7225781 0.82 PTPN11 (0.44) SLC6A3LMNAALDH1A1MAPTSLC6A2
SCHEMBL7072340 0.81 PTPN1 (0.46) SLC6A3LMNAALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL7074856 0.81 PTPN1 (0.46) SLC6A3LMNAALDH1A1MAPTMEN1
SCHEMBL7232031 0.80 PTPN11 (0.43) SLC6A3LMNAALDH1A1SLC6A2SLC6A4

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