SCHEMBL7807014

SCHEMBL7807014

c1cc2cnn(CC3CCN(CC4CCCCC4)C3)c2cc1-n1cnnc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
HTR1D P28221 10/20 0.37
HTR1B P28222 10/20 0.37
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
Hydrochloric Acid SCHEMBL8021907 0.99 BRD4 (0.41) BRD4HTR1DHTR1BPKMCASP1
SCHEMBL7798296 0.83 HTR7 (0.40) HTR1DHTR1BCASP1CASP4CASP5
Hydrochloric Acid SCHEMBL8162484 0.82 HTR7 (0.40) HTR1DHTR1BCASP1CASP4CASP5
SCHEMBL7804960 0.81 HTR1D (0.44) HTR1DHTR1BSIGMAR1
Hydrochloric Acid SCHEMBL8033560 0.81 HTR1D (0.43) HTR1DHTR1BSIGMAR1
SCHEMBL7805916 0.79 BRD4 (0.43) BRD4PKMSIGMAR1
SCHEMBL7798163 0.75 KDM1A (0.37) BRD4
Hydrochloric Acid SCHEMBL8033418 0.74 KDM1A (0.37) BRD4
SCHEMBL7798170 0.73 DRD2 (0.39) HTR1DHTR1BCASP1CASP4CASP5
Hydrochloric Acid SCHEMBL8030850 0.72 DRD2 (0.38) CASP1CASP4CASP5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed