SCHEMBL19973886

SCHEMBL19973886

CC[C@]1(C(=O)OC(C)(C)C)[C@@H](O)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL144061 0.80 CHRM2 (0.38) MEN1ALDH1A1KMT2ACHRM2CHRM1
SCHEMBL143165 0.80 CHRM2 (0.38) MEN1ALDH1A1KMT2ACHRM2CHRM1
SCHEMBL4767709 0.69 CHRM2 (0.38) MEN1ALDH1A1KMT2ACHRM2CHRM1
SCHEMBL28481839 0.69 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL25348441 0.67 ALDH1A1 (0.38) MEN1ALDH1A1TSHRKMT2ACHRM2
SCHEMBL31667788 0.67 NR1H2 (0.37) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL30782513 0.67 ALDH1A1 (0.38) MEN1ALDH1A1TSHRKMT2ACHRM2
SCHEMBL24069211 0.66 CHRM2 (0.44) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL29519744 0.66 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL28735688 0.66 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119DDB1

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
EP-3512849-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-07-24 EP disclosed
WO-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed