SCHEMBL7225840

SCHEMBL7225840

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2Br)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL7234830 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7072612 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7226764 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7231145 0.87 SLC9A1 (0.44) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7233102 0.87 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL7070829 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7226523 0.86 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7223501 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7225955 0.85 NPC1 (0.40) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL7224300 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2LMNAGAA

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