SCHEMBL13987129

SCHEMBL13987129

COc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
ACHE P22303 2/20 0.42
DRD2 P14416 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL4854070 0.91 TRIM24 (0.43) DRD4MAPTMEN1KMT2AALDH1A1
SCHEMBL4860516 0.91 ACHE (0.44) DRD4ACHEDRD2MAPTMEN1
SCHEMBL4855332 0.91 ACHE (0.41) DRD4ACHEDRD2MAPT
SCHEMBL4854054 0.90 ACHE (0.40) DRD4ACHEDRD2MAPTALDH1A1
SCHEMBL4861455 0.90 ACHE (0.44) DRD4ACHEDRD2MAPTMEN1
SCHEMBL4859150 0.90 THRB (0.45) DRD4MAPTMEN1KMT2A
SCHEMBL4860111 0.90 ACHE (0.38) DRD4ACHEDRD2MAPTMEN1
SCHEMBL4863112 0.89 ACHE (0.44) DRD4ACHEMAPT
SCHEMBL4861185 0.88 TRIM24 (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4851825 0.88 MAPT (0.42) DRD4ACHEDRD2MAPTMEN1

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