SCHEMBL28535520

SCHEMBL28535520

CC(N)CN.CCCC(C)C(N)N

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
METAP1 P53582 1/20 0.41
OPRM1 P35372 1/20 0.40
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL296336 0.89
Hydrochloric Acid SCHEMBL8938759 0.86 METAP1 (0.46) ALDH1A1METAP1OPRM1TP53TSHR
SCHEMBL10869027 0.81 METAP1 (0.43) ALDH1A1METAP1OPRM1TSHR
SCHEMBL15049042 0.80 METAP1 (0.39) METAP1OPRM1TSHR
Butane SCHEMBL11780354 0.76
SCHEMBL3868041 0.76
SCHEMBL17918945 0.75
SCHEMBL3837795 0.75
SCHEMBL30231375 0.74
SCHEMBL7759910 0.73 OPRM1 (0.52) METAP1OPRM1TP53

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
CN-114206483-A Hollow fiber membrane 路博润先进材料公司 2022-03-18 CN disclosed
CN-112334216-A Flat porous PVC film 路博润先进材料公司 2021-02-05 CN disclosed