SCHEMBL8530555

SCHEMBL8530555

[CH2]c1cc(-n2nnnc2C(F)(F)F)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.46
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13629596 0.85 TACR1 (0.46) TACR1KDM4EMAPTALDH1A1HPGD
SCHEMBL8176205 0.84 TACR1 (0.48) TACR1KDM4EMAPTALDH1A1HPGD
SCHEMBL13630147 0.82 TACR1 (0.46) TACR1KDM4EMAPTALDH1A1HPGD
SCHEMBL310305 0.81 TACR1 (0.44) TACR1KDM4EMAPTALDH1A1HPGD
SCHEMBL8530490 0.80 NOTUM (0.46) TACR1MAPTALDH1A1HPGD
SCHEMBL5198211 0.80 TACR1 (0.43) TACR1
SCHEMBL4135034 0.80 TACR1 (0.48) TACR1
SCHEMBL5199411 0.80 TACR1 (0.48) TACR1
SCHEMBL3157091 0.79 TACR1 (0.58) TACR1
SCHEMBL6424614 0.79 TACR1 (0.47) TACR1KDM4EALDH1A1HPGD

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-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed