SCHEMBL10268880

SCHEMBL10268880

CCCC(CCC)Nc1nc(N2CCC(c3ccc(Br)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 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
SCHEMBL12921206 0.87 CRHR1 (0.32) CRHR1
SCHEMBL186581 0.86 CCR1 (0.35) —
SCHEMBL10266442 0.86 TLR8 (0.33) —
SCHEMBL591223 0.82 TLR8 (0.32) CRHR1
SCHEMBL973013 0.79 HTR2A (0.31) —
SCHEMBL973495 0.78 PDE4D (0.35) —
SCHEMBL8064967 0.77 DRD2 (0.39) —
SCHEMBL12921203 0.76 ALDH1A1 (0.32) —
SCHEMBL187793 0.76 CCR1 (0.34) —
SCHEMBL7708685 0.76 CCR1 (0.34) —

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-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 — — EP disclosed
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