SCHEMBL21882533

SCHEMBL21882533

CCCN(CCC)c1cc(C)nc2c(-c3ccc(CC)cc3CC)c(C)nn12

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.66

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
SCHEMBL21227089 0.85 CRHR1 (0.60) CRHR1
SCHEMBL5599786 0.79 CRHR1 (0.74) CRHR1
SCHEMBL5599550 0.75 CRHR1 (1.00) CRHR1
SCHEMBL29482251 0.73 CRHR1 (1.00) CRHR1
SCHEMBL5600844 0.73 CRHR1 (1.00) CRHR1
SCHEMBL5872522 0.73 CRHR1 (1.00) CRHR1
SCHEMBL14350188 0.73 CRHR1 (0.61) CRHR1
Hydrochloric Acid SCHEMBL29601420 0.72 CRHR1 (0.98) CRHR1
Hydrochloric Acid SCHEMBL5872497 0.72 CRHR1 (0.98) CRHR1
SCHEMBL14350206 0.72 CRHR1 (0.63) CRHR1

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
EP-3623483-A1 METHOD FOR PREDICTING A TREATMENT RESPONSE TO A CRHR1 ANTAGONIST AND/OR A V1B ANTAGONIST IN A PATIENT WITH DEPRESSIVE AND/OR ANXIETY SYMPTOMS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-18 EP disclosed