SCHEMBL31663968

SCHEMBL31663968

CCn1ccc(C(=O)NCc2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.70
KCNH2 Q12809 4/20 0.70
TP53 P04637 5/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 5/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL22397344 1.00 IDO1 (0.70) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492901 0.90 IDO1 (0.72) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397417 0.90 IDO1 (0.72) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397378 0.85 IDO1 (0.90) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492881 0.85 IDO1 (0.90) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397373 0.83 IDO1 (0.72) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492770 0.83 IDO1 (0.72) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397379 0.82 IDO1 (1.00) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397618 0.82 IDO1 (0.68) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492851 0.82 IDO1 (0.68) IDO1KCNH2TP53THRBLMNA

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 disclosed