SCHEMBL7353274

SCHEMBL7353274

CCCC(=O)Nc1cc(C)c2c(c1)ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 3/20 0.40
HTR1A P08908 3/20 0.40
PARP1 P09874 4/20 0.40
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7354626 0.93 KDM4E (0.43) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7355443 0.91 KDM4E (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7360192 0.91 KDM4E (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7355373 0.90 KDM4E (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7354812 0.90 KDM4E (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7360674 0.89 CYP2C19 (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
Hydrochloric Acid SCHEMBL7354409 0.89 KDM4E (0.42) KDM4EMAPTSIGMAR1LMNAHTR1A
SCHEMBL7351996 0.89 ALDH1A1 (0.42) KDM4EMAPTPOLBPARP1HSD17B10
Hydrochloric Acid SCHEMBL7355986 0.88 SIGMAR1 (0.44) KDM4EMAPTSIGMAR1HTR1AALOX15
SCHEMBL7361901 0.88 KDM4E (0.41) KDM4EMAPTSIGMAR1LMNAHTR1A

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