SCHEMBL28465408

SCHEMBL28465408

COc1ccc2c3c([nH]c2c1)CCN(C(=O)O)C3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 5/20 0.67
▸ KDR P35968 1/20 0.58
▸ CFTR P13569 9/20 0.57
▸ ADRA2A P08913 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ NISCH Q9Y2I1 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ PABPC1 P11940 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29171356 0.90 BAZ2B (0.82) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL602333 0.86 LMNA (0.67) BAZ2BKDRCFTRADRA2AADRA2B
SCHEMBL21114768 0.85 BAZ2B (0.61) BAZ2BKDRCFTRADRA2AADRA2B
SCHEMBL30506408 0.85 BAZ2B (0.61) BAZ2BKDRCFTRADRA2AADRA2B
SCHEMBL18345747 0.84 BAZ2B (0.65) BAZ2BCFTRUSP2LMNAMAPT
SCHEMBL3476781 0.81 BAZ2B (0.64) BAZ2BCFTRUSP2LMNAMAPT
SCHEMBL28661381 0.81 BAZ2B (0.64) BAZ2BCFTRALOX15HSD17B10LMNA
SCHEMBL5372790 0.81 BAZ2B (0.67) BAZ2BKDRCFTRUSP2CYP1A2
SCHEMBL18346075 0.78 CFTR (0.52) BAZ2BCFTRLMNAMAPTPABPC1
Fumaric Acid SCHEMBL25201865 0.78 HTR7 (0.53) BAZ2BKDRCFTRADRA2AADRA2B

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-111757882-A 1,3,4, 5-tetrahydro-2H-pyrido [4,3-b ] indole derivatives for the treatment, alleviation or prevention of disorders associated with Tau aggregates such as alzheimer's disease AC免疫有限公司 2020-10-09 — — CN disclosed
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