SCHEMBL11258686

SCHEMBL11258686

BrCC(CBr)C1CCCNCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33

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
SCHEMBL11272305 0.78 CPN1 (0.37) CPN1CPB2
SCHEMBL19103004 0.75 GNAI3 (0.34) CPN1CPB2
SCHEMBL12309036 0.70 SLC6A2 (0.35) CPN1CPB2
SCHEMBL27289508 0.70 SLC6A2 (0.35) CPN1CPB2
SCHEMBL25151798 0.70 SLC6A2 (0.35) CPN1CPB2
SCHEMBL20156418 0.70 SIGMAR1 (0.40)
SCHEMBL23114622 0.67 GNAO1 (0.42)
SCHEMBL24383385 0.67 CPN1 (0.42) CPN1CPB2
SCHEMBL10272804 0.67 CPN1 (0.38) CPN1CPB2
Hydrochloric Acid SCHEMBL23727291 0.65 CPN1 (0.31) CPN1CPB2

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
US-4345071-A AZIDOALKYL-HETEROCYCLIC AMIDINE INTERMEDIATES LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1982-08-17 US disclosed
US-4229443-A Derivatives of penicillanic acid LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1980-10-21 US disclosed