SCHEMBL5033950

SCHEMBL5033950

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 1.00

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
SCHEMBL3518039 0.84 TACR1 (0.92) TACR1
SCHEMBL3514906 0.84 TACR1 (1.00) TACR1
SCHEMBL7381538 0.84 TACR1 (1.00) TACR1
SCHEMBL7480630 0.83 TACR1 (0.71) TACR1
SCHEMBL7387898 0.83 TACR1 (1.00) TACR1
SCHEMBL7387900 0.83 TACR1 (1.00) TACR1
SCHEMBL3516834 0.81 TACR1 (0.81) TACR1
SCHEMBL7415823 0.81 TACR1 (0.85) TACR1
SCHEMBL7415817 0.81 TACR1 (0.85) TACR1
SCHEMBL7417169 0.80 TACR1 (0.80) TACR1

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-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed