SCHEMBL7360674

SCHEMBL7360674

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
DRD3 P35462 1/20 0.40
LMNA P02545 3/20 0.39
HTR1A P08908 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 3/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7351996 0.93 ALDH1A1 (0.42) KDM4EMAPTNPC1RAB9ANOTUM
SCHEMBL7354615 0.92 NOTUM (0.44) KDM4EMAPTDRD3NPC1RAB9A
SCHEMBL7360194 0.91 MAPT (0.43) CYP2C19KDM4EMAPTLMNAHTR1A
SCHEMBL7354626 0.91 KDM4E (0.43) KDM4EMAPTLMNAHTR1ANPC1
Hydrochloric Acid SCHEMBL7360641 0.91 PARP1 (0.42) KDM4EMAPTHTR1ANPC1RAB9A
SCHEMBL7355443 0.90 KDM4E (0.42) KDM4EMAPTDRD3LMNAHTR1A
SCHEMBL7360192 0.90 KDM4E (0.42) KDM4EMAPTLMNAHTR1ASIGMAR1
SCHEMBL7355377 0.90 SMN1; SMN2 (0.44) KDM4EMAPTLMNASMN1; SMN2
SCHEMBL7355373 0.89 KDM4E (0.42) KDM4EMAPTLMNAHTR1ASIGMAR1
SCHEMBL7353274 0.89 KDM4E (0.42) KDM4EMAPTDRD3LMNAHTR1A

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