SCHEMBL31663935

SCHEMBL31663935

NC(=O)N1CCCc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.45
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
PTPN11 Q06124 2/20 0.41
NOTUM Q6P988 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNQ2 O43526 1/20 0.38

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
SCHEMBL16823475 1.00 CYP11B2 (0.45) CYP11B2HSD17B10GAASMN1; SMN2POLB
SCHEMBL31016655 0.90 AKT1 (0.43) CYP11B2HSD17B10SMN1; SMN2POLBNOTUM
SCHEMBL31492896 0.86 GAA (0.43) HSD17B10GAASMN1; SMN2POLBPTPN11
SCHEMBL14970381 0.84 NOTUM (0.58) CYP11B2GAASMN1; SMN2NOTUMMEN1
SCHEMBL30158322 0.84 NOTUM (0.58) CYP11B2GAASMN1; SMN2NOTUMMEN1
SCHEMBL25430574 0.84 GAA (0.48) GAASMN1; SMN2POLBMEN1KMT2A
SCHEMBL16219037 0.82 ALDH1A1 (0.48) HSD17B10GAASMN1; SMN2POLBNOTUM
SCHEMBL25428318 0.81 GAA (0.48) GAASMN1; SMN2POLBMEN1KMT2A
SCHEMBL19722807 0.81 ALDH1A1 (0.48) CYP11B2GAASMN1; SMN2POLBMEN1
SCHEMBL15632473 0.80 NOTUM (0.53) CYP11B2NOTUMMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP claimed