SCHEMBL9688083

SCHEMBL9688083

Clc1ccc(Oc2cccc3[nH]ccc23)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 10/20 0.58
TRPA1 O75762 1/20 0.46
HTR1B P28222 1/20 0.43
BRAF P15056 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HTR1A P08908 2/20 0.40
HTR2C P28335 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL13548829 0.80 RHEB (0.48) RHEBTRPA1HTR1BBRAFMEN1
SCHEMBL3050720 0.78 HSPB1 (0.52) RHEBTRPA1BRAFMEN1MAPT
SCHEMBL9047954 0.77 RHEB (0.72) RHEBTRPA1HTR1BMEN1MAPT
SCHEMBL3874602 0.76 RHEB (0.55) RHEBTRPA1HTR1BBRAFMEN1
SCHEMBL11136047 0.76 KMT2A (0.51) MEN1MAPTKMT2AGRM4
SCHEMBL1499400 0.76 RHEB (0.73) RHEBTRPA1HTR1BMEN1MAPT
SCHEMBL2858360 0.75 RHEB (0.49) RHEBTRPA1HTR1BBRAFMEN1
SCHEMBL20536085 0.74 RHEB (1.00) RHEBTRPA1HTR1BMEN1MAPT
SCHEMBL20535781 0.74 RHEB (1.00) RHEBTRPA1MEN1MAPTKMT2A
SCHEMBL20536492 0.74 RHEB (1.00) RHEBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
EP-0237467-A2 Heteroaryl-oxy-beta-carboline derivatives, their preparation and use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-16 EP disclosed