SCHEMBL13624953

SCHEMBL13624953

C[C@H]1CCNCC1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.53
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.49
HTR2C P28335 1/20 0.48
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.46
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 2/20 0.45
CASP3 P42574 2/20 0.44

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
SCHEMBL29492196 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL10271642 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL27830313 0.90 HTR2C (0.48) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL16683530 0.90 SSTR4 (0.55) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL28839571 0.86 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL18969529 0.86 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL10271774 0.85 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHRNAAA
Hydrochloric Acid SCHEMBL19816654 0.85 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL210981 0.85 CPB1 (0.48) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL4262520 0.85 CPB1 (0.48) CPB1ALDH1A1GAATSHRNAAA

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-9969727-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
WO-2009140320-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-11-19 WO disclosed