SCHEMBL7224240

SCHEMBL7224240

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(N3CCOCC3)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.35
MAPT P10636 8/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
USP30 Q70CQ3 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CTSC P53634 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7230686 0.90 CYP2C19 (0.35) F10MAPTLMNAMEN1KMT2A
SCHEMBL7231963 0.85 ESR1 (0.37) ALDH1A1RAB9ANPC1
SCHEMBL7232904 0.85 MITF (0.38) F10MAPTMEN1KMT2AALDH1A1
SCHEMBL7120596 0.84 CHRNA7 (0.36) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7224982 0.84 CHRNA7 (0.44) F10MAPTLMNAMEN1KMT2A
SCHEMBL7232207 0.83 SLC6A2 (0.39) RAB9ANPC1
SCHEMBL7224995 0.83 CHRNA7 (0.34) ALDH1A1
SCHEMBL7234021 0.83 SLC6A3 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7231965 0.83 CHRNA7 (0.36)
Hydrochloric Acid SCHEMBL7231366 0.82 SLC6A3 (0.38) MAPTMEN1KMT2AALDH1A1GAA

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