SCHEMBL31374993

SCHEMBL31374993

N#CC1(C[C@@H](O)COCc2ccccc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL31374997 1.00 CA1 (0.50) CA1CA2CA7CA9POLB
SCHEMBL27145656 0.99 CA1 (0.49) CA1CA2CA7CA9POLB
SCHEMBL27145658 0.99 CA1 (0.49) CA1CA2CA7CA9POLB
SCHEMBL7370058 0.80 CTSL (0.39) CA1TSHRMEN1KMT2ACYP1A2
SCHEMBL100994 0.78 TACR1 (0.45) TSHR
SCHEMBL6353194 0.77 CA1 (0.44) CA1CA2CA7CA9POLB
SCHEMBL397022 0.74 CA1 (0.78) CA1CA2CA7CA9POLB
SCHEMBL14167393 0.73 CA1 (0.54) CA1CA2CA7CA9POLB
SCHEMBL3788063 0.73 CA1 (0.54) CA1CA2CA7CA9POLB
SCHEMBL8328277 0.73 CA1 (0.62) CA1CA2CA7CA9POLB

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
WO-2025011610-A1 AMIDE DERIVATIVE, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-16 WO disclosed
CN-119306790-A Amide derivative, composition and use thereof 深圳市塔吉瑞生物医药有限公司 2025-01-14 CN disclosed