SCHEMBL7353480

SCHEMBL7353480

CCC(=O)Nc1ccc2c(c1)ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.47
MAPT P10636 2/20 0.43
NR1I2 O75469 2/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
HTR1A P08908 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7362070 0.93 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7360497 0.91 NPC1 (0.48) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7351784 0.89 KMT2A (0.46) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7354626 0.86 KDM4E (0.43) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7361870 0.81 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7353274 0.80 KDM4E (0.42) KMT2ALMNAMAPTKDM4EHTR1A
SCHEMBL7360192 0.79 KDM4E (0.42) KMT2ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7355443 0.79 KDM4E (0.42) KMT2ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL5846101 0.79 DRD2 (0.56) KMT2ASMN1; SMN2LMNAMEN1SIGMAR1
SCHEMBL7355373 0.78 KDM4E (0.42) KMT2ASMN1; SMN2LMNAMAPTKDM4E

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