SCHEMBL13987447

SCHEMBL13987447

COc1ccccc1CCNCCCCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
LMNA P02545 5/20 0.48
TP53 P04637 6/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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 SCHEMBL4851408 0.99 THRB (0.50) THRBLMNATP53MAPTRAB9A
Hydrochloric Acid SCHEMBL27593248 0.96 THRB (0.50) THRBLMNATP53MAPTRAB9A
SCHEMBL13987353 0.91 POLB (0.47) LMNAMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4888527 0.90 POLB (0.47) LMNAMAPTSMN1; SMN2POLB
SCHEMBL13987391 0.90 POLB (0.47) LMNAMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4851829 0.90 POLB (0.46) LMNAMAPTSMN1; SMN2POLB
SCHEMBL13987449 0.89 NAMPT (0.45) THRBTP53MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4885227 0.88 NAMPT (0.45) THRBTP53MAPTRAB9ASMN1; SMN2
SCHEMBL13987379 0.88 MAPT (0.47) MAPT
SCHEMBL13987387 0.88 MAPT (0.46) THRBMAPTPOLB

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