SCHEMBL7221453

SCHEMBL7221453

O=C(O)N1CCc2[nH]c3cccc(CCCO)c3c2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GPX4 P36969 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL6474688 0.89 CDK4 (0.40) MAPTTAAR1LMNABAZ2BCDK4
SCHEMBL6475020 0.84 F12 (0.43) MAPTLMNABAZ2BKMT2ATRPV1
SCHEMBL6481710 0.78 TRPV1 (0.45) MAPTTAAR1LMNABAZ2BGPX4
SCHEMBL6475990 0.77 KCNA5 (0.47) TAAR1KMT2ACDK4CCND1TRPV1
Hydrochloric Acid SCHEMBL6474574 0.77 HTR2A (0.46) TAAR1KDM4EPARP1
SCHEMBL6475707 0.73 CDK4 (0.45) MAPTLMNABAZ2BCDK4CCND1
SCHEMBL22319819 0.73 S1PR5 (0.47) MAPTTAAR1KMT2AGAAKDM4E
SCHEMBL6475546 0.72 MAPT (0.66) MAPTTAAR1LMNABAZ2BKMT2A
SCHEMBL7226453 0.70 BAZ2B (0.40) MAPTTAAR1LMNABAZ2BKMT2A
SCHEMBL5373325 0.69 GPX4 (0.49) GPX4CDK4CCND1TRPV1FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 — — US disclosed
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