SCHEMBL7361870

SCHEMBL7361870

CCC(=O)Nc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.43
LMNA P02545 3/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 3/20 0.42
PARP1 P09874 4/20 0.42
HTR1A P08908 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
SCHEMBL7353480 0.81 KMT2A (0.60) SMN1; SMN2KMT2AKDM4ELMNASIGMAR1
SCHEMBL7386018 0.80 SIGMAR1 (0.42) KDM4ESIGMAR1MAPTPARP1HTR1A
Dimethylamine SCHEMBL7353096 0.80 PARP1 (0.51) SIGMAR1PARP1
Hydrochloric Acid SCHEMBL7357103 0.80 HTR1A (0.47) KMT2AKDM4ESIGMAR1PARP1HTR1A
SCHEMBL7360005 0.80 HTR1A (0.45) KDM4ELMNASIGMAR1PARP1HTR1A
Dimethylamine SCHEMBL7352059 0.79 PARP1 (0.50) SIGMAR1PARP1
SCHEMBL7354508 0.79 SIGMAR1 (0.42) SIGMAR1PARP1HTR1A
SCHEMBL7356883 0.78 NR1H4 (0.47) KMT2AMAPT
SCHEMBL7359345 0.78 HTR1A (0.47) SIGMAR1PARP1HTR1A
SCHEMBL7424139 0.78 SIGMAR1 (0.42) SIGMAR1PARP1HTR1A

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