SCHEMBL13987397

SCHEMBL13987397

COc1ccccc1CCN(C)CCCCCC(=O)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
TRIM24 O15164 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NOTUM Q6P988 1/20 0.43
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL4861017 0.99 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ERECQLTRIM24
SCHEMBL13987389 0.99 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLTRIM24
Hydrochloric Acid SCHEMBL4858342 0.98 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLTRIM24
SCHEMBL4858566 0.90 TSHR (0.44) ALDH1A1HPGDKDM4ERECQLTRIM24
SCHEMBL4858690 0.88 TSHR (0.46) ALDH1A1HPGDKDM4ERECQLTRIM24
SCHEMBL13987398 0.88 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL13988034 0.87 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERECQLTRIM24
SCHEMBL4854070 0.87 TRIM24 (0.43) ALDH1A1HPGDKDM4ERECQLTRIM24
Hydrochloric Acid SCHEMBL4861432 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ERECQLMAPT
SCHEMBL13987390 0.86 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERECQLMAPT

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