SCHEMBL9037992

SCHEMBL9037992

CC(C)C[C@H](N)C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
HRH4 Q9H3N8 1/20 0.49
CAPN1 P07384 1/20 0.49
CAPN2 P17655 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CA5A P35218 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
LARS1 Q9P2J5 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
SCHEMBL23447175 0.87 CYP1A2 (0.54) CTSKCTSSCTSLCTSBLARS1
SCHEMBL9749394 0.87 CYP1A2 (0.54) CTSKCTSSCTSLCTSBLARS1
SCHEMBL9215213 0.87 HRH4 (0.53) CTSKHRH4CAPN1CAPN2MEN1
SCHEMBL11072087 0.86 CTSK (0.60) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL7387364 0.86 HRH4 (0.57) HRH4MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL5492509 0.85 HRH4 (0.56) HRH4MEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL5492506 0.85 HRH4 (0.56) HRH4MEN1ALDH1A1HPGDKMT2A
SCHEMBL21342932 0.84 KMT2A (0.57) CTSKHRH4CAPN1CAPN2MEN1
SCHEMBL10414351 0.84 SLC1A3 (0.57) CTSKCAPN1CAPN2SLC1A3SLC1A1
SCHEMBL30392618 0.84 HRH4 (0.50) HRH4MEN1ALDH1A1HPGDKMT2A

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