SCHEMBL7274096

SCHEMBL7274096

CNCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNN4 O15554 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7273914 0.84 ADRA2C (0.35) KDM4ECYP11B1CYP11B2SIRT2
SCHEMBL846 0.81 CYP11B1 (0.34) MEN1KMT2ACYP3A4MAPTCYP11B1
SCHEMBL9585649 0.81 TAAR1 (0.35) CYP11B1CYP11B2
SCHEMBL7310245 0.81 CYP11B1 (0.34) MEN1KMT2AKDM4ECYP11B1CYP11B2
SCHEMBL9756933 0.79 MEN1 (0.37) MEN1KMT2AKDM4ECYP3A4MAPT
SCHEMBL6743058 0.79 CYP11B1 (0.33) MEN1KMT2ACYP11B1CYP11B2
SCHEMBL10457156 0.78 P2RX3 (0.36) MEN1KMT2AKDM4EMAPTCYP11B1
SCHEMBL8183968 0.77 SMO (0.37) CYP11B1CYP11B2
SCHEMBL6667217 0.77 CYP11B1 (0.37) KDM4EMAPTCYP11B1CYP11B2
SCHEMBL6662261 0.75 KDM4E (0.34) KDM4ECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114950-A Psychological disorders, anxiety, nausea and vomiting GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
US-5102901-A 5-hydroxytrypamine receptor antaonists DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-04-07 US disclosed
US-5037844-A 5-hydroxytryptamine antagonist DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-08-06 US disclosed
US-5026722-A Antagonists of 5-hydroxytryptamine GLAXO GROUP LIMITED (GB) 1991-06-25 US disclosed
EP-0410509-A1 New substituted 1H-indazole-3-carboxamides DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-01-30 EP disclosed
US-4985424-A Certain substituted 1,7-annelated 1h-indazoles being selective antagonists of 5-ht-receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
EP-0393766-A2 New 3-N substituted carbamoyl-indole derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-10-24 EP disclosed
US-4950759-A ANTAGONISTS OF NEURONAL 5-HYDROXYTRYPTAMINE(5-HT) RECEPTORS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-08-21 US disclosed
EP-0350130-A2 New substituted 1,7-annelated 1H-indazoles DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-01-10 EP disclosed
EP-0347229-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-12-20 EP disclosed