SCHEMBL7360918

SCHEMBL7360918

CCOC(=O)c1cccc2c1ncn2CCCCCl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
TSHR P16473 4/20 0.43
KDM4E B2RXH2 3/20 0.40
TBXAS1 P24557 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 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
SCHEMBL7361829 0.85 MAPT (0.38) TSHRKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7355990 0.82 EGLN3 (0.40) TSHRKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4908687 0.81 TSHR (0.41) TSHRKDM4ETBXAS1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7357414 0.81 PRPS1 (0.38) CNR1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL7355840 0.81 SMN1; SMN2 (0.44) CNR1TSHRKDM4ETBXAS1ALDH1A1
SCHEMBL12226875 0.81 TSHR (0.51) TSHRKDM4ETBXAS1ALDH1A1HSD17B10
SCHEMBL7353986 0.81 KDM4E (0.36) CNR1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7386018 0.78 SIGMAR1 (0.42) KDM4EALDH1A1MAPT
SCHEMBL7359893 0.77 KMT2A (0.43) CNR1TSHRKDM4EALDH1A1LMNA
SCHEMBL7356719 0.76 HPGD (0.44) TSHRKDM4EALDH1A1SMN1; SMN2MAPT

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