SCHEMBL31397702

SCHEMBL31397702

CCCN1CCNCC1CCO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
GBA1 P04062 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
CYP2D6 P10635 3/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
MITF O75030 1/20 0.32
APAF1 O14727 1/20 0.31
IDE P14735 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
SCHEMBL366506 0.89 CA1 (0.42) TAAR1CA1CA2CA4CA9
SCHEMBL7494294 0.89 TAAR1 (0.46) TAAR1GBA1GAA
SCHEMBL8470487 0.88 TAAR1 (0.44) TAAR1CA1CA2CA4CA9
SCHEMBL11344059 0.87 CA1 (0.41) TAAR1CA1CA2CA4CA9
SCHEMBL7023461 0.87 TAAR1 (0.48) TAAR1GBA1TDP1L3MBTL1CYP2D6
SCHEMBL6645271 0.85 TAAR1 (0.41) TAAR1GBA1TDP1L3MBTL1GAA
SCHEMBL9559695 0.85 TAAR1 (0.54) TAAR1CA1CA2CA4CA9
SCHEMBL10385184 0.84 CA1 (0.42) TAAR1CA1CA2CA4CA9
SCHEMBL6019646 0.84 CA1 (0.42) TAAR1CA1CA2CA4CA9
SCHEMBL29447126 0.84 CA1 (0.39) TAAR1CA1CA2CA4CA9

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-119425311-A Purification method for efficiently removing degradation products of desthioamine liquid 河北精致科技有限公司 2025-02-14 CN claimed
CN-119425311-A Purification method for efficiently removing degradation products of desthioamine liquid 河北精致科技有限公司 2025-02-14 CN disclosed