SCHEMBL31411641

SCHEMBL31411641

CC1(C)C(=O)N(CC2CN(c3ccsc3)C2)c2cc(C#N)ccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
CRHR2 Q13324 2/20 0.33
XIAP P98170 2/20 0.33
BIRC2 Q13490 2/20 0.33
FASN P49327 1/20 0.33
BACE1 P56817 4/20 0.33
MEN1 O00255 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.32
ALK Q9UM73 3/20 0.31
NSD2 O96028 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SRPK2 P78362 1/20 0.30
SRPK1 Q96SB4 1/20 0.30
EML4 Q9HC35 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
SCHEMBL31411637 0.86 PGR (0.38) CRHR1CRHR2XIAPBIRC2FASN
SCHEMBL31411546 0.85 CRHR1 (0.34) CRHR1CRHR2
SCHEMBL31411747 0.82 CPT1A (0.37) CRHR1CRHR2MEN1KMT2A
SCHEMBL31411795 0.76 CRHR1 (0.39) CRHR1CRHR2BACE1PGRALK
SCHEMBL31411565 0.76 CRHR1 (0.36) CRHR1CRHR2MEN1KDM4EKMT2A
SCHEMBL31411581 0.73 HTR7 (0.38) CRHR1CRHR2BACE1KDM4EHPGD
SCHEMBL9773598 0.72 ELANE (0.43) XIAPBIRC2PGRALKNSD2
SCHEMBL31411799 0.70 CRHR1 (0.38) CRHR1CRHR2PGR
SCHEMBL31411814 0.70 CRHR1 (0.38) CRHR1CRHR2BACE1MEN1KMT2A
SCHEMBL31411777 0.68 ALDH1A1 (0.39) MEN1KDM4EHPGDKMT2APGR

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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed