SCHEMBL9038830

SCHEMBL9038830

O=C(OC(=O)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 1/20 0.52
▸ SCN4A P35499 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL9038823 0.82 S1PR5 (0.67) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL15367665 0.81 S1PR5 (0.59) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL1717074 0.80 LTA4H (0.63) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL8263431 0.80 LTA4H (0.63) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL28943257 0.80 SCN4A (0.55) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL24131137 0.79 L3MBTL1 (0.60) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL24131658 0.79 L3MBTL1 (0.60) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL8601138 0.78 S1PR5 (0.61) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL1545229 0.78 L3MBTL1 (0.74) ATML3MBTL1KDM4EALDH1A1
SCHEMBL14022760 0.78 L3MBTL1 (0.74) ATML3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 — — EP disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 — — EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 — — WO disclosed
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