SCHEMBL7360045

SCHEMBL7360045

O=C(NCc1ccco1)c1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 2/20 0.52
ALOX15 P16050 2/20 0.52
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTR1A P08908 2/20 0.41
POLB P06746 5/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7360005 0.82 HTR1A (0.45) KDM4ELMNAHTR1ADRD3SIGMAR1
SCHEMBL7355240 0.82 HTR1A (0.44) MAPTKDM4EALDH1A1HTR1ADRD3
SCHEMBL7354368 0.81 HTR1A (0.40) KDM4EHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL7350014 0.81 HPGD (0.54) MAPTKDM4ENPSR1HPGDALDH1A1
Hydrochloric Acid SCHEMBL7357103 0.79 HTR1A (0.47) KDM4EALOX15HTR1AHSD17B10KMT2A
SCHEMBL7359345 0.79 HTR1A (0.47) HTR1ASIGMAR1
SCHEMBL7360074 0.78 SIGMAR1 (0.42) KDM4EHPGDALDH1A1SMN1; SMN2HTR1A
SCHEMBL7353007 0.78 TRPV4 (0.45) MAPTKDM4EUSP2ALOX15NPSR1
SCHEMBL7358512 0.78 TRPV4 (0.45) KDM4ENPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7359027 0.78 SIGMAR1 (0.45) KDM4ELMNAHTR1ADRD3SIGMAR1

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-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed