SCHEMBL31411795

SCHEMBL31411795

CC1(C)C(=O)N(CC2CCN(c3ccccc3)CC2)c2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
AVPR1B P47901 2/20 0.38
ALK Q9UM73 3/20 0.37
CRHR2 Q13324 2/20 0.37
PGR P06401 1/20 0.37
CHRM4 P08173 2/20 0.37
BACE1 P56817 1/20 0.37
GRM2 Q14416 1/20 0.37
NSD2 O96028 1/20 0.37
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.36

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 0.90 PGR (0.38) CRHR1FFAR4CRHR2PGRNSD2
SCHEMBL31411846 0.84 CRHR1 (0.41) CRHR1CRHR2GRM2
SCHEMBL31411555 0.82 CRHR1 (0.44) CRHR1CRHR2
SCHEMBL31411541 0.77 CRHR1 (0.41) CRHR1CRHR2NOTUMPOLB
SCHEMBL31411641 0.76 CRHR1 (0.33) CRHR1FFAR4ALKCRHR2PGR
SCHEMBL31411889 0.74 PGR (0.50) PGRBACE1
SCHEMBL9773598 0.73 ELANE (0.43) ALKPGRNSD2POLB
SCHEMBL31411814 0.73 CRHR1 (0.38) CRHR1CRHR2PGRBACE1
SCHEMBL31411799 0.73 CRHR1 (0.38) CRHR1CRHR2PGR
SCHEMBL1238144 0.72 BACE1 (0.40) CRHR1FFAR4ALKBACE1

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