SCHEMBL7224670

SCHEMBL7224670

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(F)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.36
SSTR3 P32745 1/20 0.36

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
SCHEMBL7225481 0.90 NPSR1 (0.45) SLC6A3ALDH1A1MAPTMAPK1NPSR1
SCHEMBL7225739 0.89 ALDH1A1 (0.45) SLC6A3ALDH1A1MAPTMAPK1NPSR1
SCHEMBL7233832 0.89 SLC6A3 (0.42) LMNATSHRSLC6A3ALDH1A1MAPT
SCHEMBL7230399 0.85 MAPT (0.36) LMNASLC6A3ALDH1A1MAPTMAPK1
SCHEMBL7125195 0.83 MMP2 (0.36) ALDH1A1NPSR1SSTR3
SCHEMBL7225383 0.82 SLC6A3 (0.41) LMNATSHRSLC6A3SMN1; SMN2KCNH2
SCHEMBL7226375 0.82 MAPT (0.48) LMNATSHRSLC6A3ALDH1A1MAPT
SCHEMBL7121780 0.82 SLC6A3 (0.46) SLC6A3SMN1; SMN2KCNH2SSTR3
SCHEMBL7072340 0.81 PTPN1 (0.46) LMNASLC6A3ALDH1A1MAPTNPSR1
SCHEMBL7232058 0.81 NPSR1 (0.40) SLC6A3ALDH1A1MAPTMAPK1NPSR1

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