SCHEMBL7230975

SCHEMBL7230975

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SLC9A1 P19634 1/20 0.46
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
UTS2R Q9UKP6 1/20 0.37
NPFFR1 Q9GZQ6 2/20 0.36
NPFFR2 Q9Y5X5 2/20 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
SCHEMBL7072612 0.86 RAB9A (0.49) LMNAALDH1A1GAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7070829 0.85 RAB9A (0.48) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7222966 0.85 ALDH1A1 (0.53) LMNAALDH1A1POLBGAASMN1; SMN2
SCHEMBL7234830 0.85 RAB9A (0.42) LMNAGAASMN1; SMN2MAPTHTT
SCHEMBL7231145 0.84 SLC9A1 (0.44) LMNAGAASMN1; SMN2HTTNPSR1
SCHEMBL7225840 0.84 RAB9A (0.41) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7226764 0.84 RAB9A (0.53) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7233102 0.84 ALDH1A1 (0.49) LMNAALDH1A1POLBGAASMN1; SMN2
SCHEMBL7226523 0.83 SMN1; SMN2 (0.42) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7223665 0.83 RAB9A (0.36) LMNAALDH1A1POLBGAASMN1; SMN2

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