SCHEMBL13987446

SCHEMBL13987446

COc1ccccc1CCNCCCCC(=O)c1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
MAPT P10636 5/20 0.44
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.40

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
Hydrochloric Acid SCHEMBL4860929 0.99 ACHE (0.46) ACHEMAPTEGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL27593258 0.96 ACHE (0.46) ACHEMAPTEGFRERBB2ERBB4
SCHEMBL13987380 0.91 ACHE (0.47) ACHEMAPT
Hydrochloric Acid SCHEMBL4891016 0.90 MAPT (0.43) ACHEMAPT
Hydrochloric Acid SCHEMBL4861521 0.90 ACHE (0.46) ACHEMAPT
SCHEMBL13987383 0.88 MAPT (0.43) ACHEMAPT
SCHEMBL13987379 0.88 MAPT (0.47) ACHEMAPT
Hydrochloric Acid SCHEMBL4861346 0.87 MAPT (0.42) ACHEMAPT
SCHEMBL27593183 0.87 ACHE (0.47) ACHEMAPT
SCHEMBL13987386 0.86 MAPT (0.43) ACHEMAPTTP53

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
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed