SCHEMBL21154494

SCHEMBL21154494

COc1ccc2c3c([nH]c2c1)CN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.50
▸ KDR P35968 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.48
▸ ADRA1A P35348 1/20 0.44
▸ CFTR P13569 6/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ ABCB1 P08183 3/20 0.43
▸ ABCC1 P33527 3/20 0.43
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21154472 0.91 BAZ2B (0.61) BAZ2BKDRCFTRTRPV1CYP1A2
SCHEMBL30228476 0.91 BAZ2B (0.61) BAZ2BKDRCFTRTRPV1CYP1A2
SCHEMBL21114768 0.90 BAZ2B (0.61) BAZ2BKDRADRA2AADRA2BADRA2C
SCHEMBL30506408 0.90 BAZ2B (0.61) BAZ2BKDRADRA2AADRA2BADRA2C
SCHEMBL21153987 0.85 BAZ2B (0.47) BAZ2BADRA1ACFTRTRPV1CDK4
SCHEMBL21154454 0.82 LMNA (0.55) BAZ2BTRPV1CDK4CCND1
SCHEMBL21162488 0.81 BAZ2B (0.74) BAZ2BKDRCFTRCYP1A2CYP2C9
SCHEMBL30228575 0.81 BAZ2B (0.74) BAZ2BKDRCFTRCYP1A2CYP2C9
SCHEMBL21588257 0.81 BAZ2B (0.61) BAZ2BKDRCFTRTRPV1CDK4
SCHEMBL30228645 0.79 TRPV1 (0.57) BAZ2BTRPV1

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
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
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