SCHEMBL9038558

SCHEMBL9038558

O=C(C[C@@H]1CCCN1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 4/20 0.47
GHSR Q92847 2/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL9060376 0.96 GLA (0.59) GLAPOLBALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL9037494 0.92 GLA (0.53) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL11063204 0.86 GLA (0.48) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL28869016 0.82 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL3393626 0.82 GLA (0.62) GLAALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL2465636 0.81 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL20224958 0.80 POLB (0.50) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL7095053 0.80 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL27856601 0.80 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1HTR2C
SCHEMBL4741712 0.80 ALDH1A1 (0.52) POLBALDH1A1HTR2CHTR2BTSHR

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