SCHEMBL21154472

SCHEMBL21154472

COc1ccc2[nH]c3c(c2c1)CN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.61
KDR P35968 3/20 0.59
CFTR P13569 9/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL30228476 1.00 BAZ2B (0.61) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL21154494 0.91 BAZ2B (0.50) BAZ2BKDRCFTRCYP1A2CYP2C9
SCHEMBL21588257 0.90 BAZ2B (0.61) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL30228575 0.90 BAZ2B (0.74) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL21162488 0.90 BAZ2B (0.74) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL30228645 0.86 TRPV1 (0.57) BAZ2BLMNATRPV1
SCHEMBL21154458 0.85 BAZ2B (0.59) BAZ2BCFTRALOX15HSD17B10LMNA
SCHEMBL30667631 0.82 BAZ2B (0.49) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL31117446 0.82 BAZ2B (0.62) BAZ2BKDRCFTRCYP1A2CYP2D6
SCHEMBL21154454 0.82 LMNA (0.55) BAZ2BLMNATRPV1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
CN-111196806-B Guanidine derivative and application thereof 广东东阳光药业股份有限公司 2024-04-26 CN disclosed
CN-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed