SCHEMBL7416179

SCHEMBL7416179

NCCCC1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 2/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35

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
SCHEMBL7424270 0.87 CHRNA7 (0.44) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7328436 0.79 CHRNA7 (0.37) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7324063 0.78 CHRNA7 (0.39) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL13617347 0.78 CHRNA7 (0.39) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1057440 0.78 CHRNA7 (0.48) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7323705 0.78 CHRNA7 (0.35) CHRNA7CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7362613 0.78 CHRNA7 (0.35) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2092979 0.77 CHRNA7 (0.41) CHRNA7CHRNA4CHRM2CHRM1CHRM3
SCHEMBL26462625 0.76 GNAI3 (0.41) CHRM2CHRM1
Hydrochloric Acid SCHEMBL1966490 0.76 CHRNA7 (0.46) CHRNA7CHRNA4CHRM2CHRM1CHRM3

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
US-5198418-A Substituted alkylamides of teicoplanin compounds GRUPPO LEPETIT S.P.A. (IT) 1993-03-30 — — US disclosed
EP-0340245-B1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.p.A. (IT) 1992-08-19 — — EP disclosed
EP-0340245-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS. LEPETIT SPA (IT) 1989-11-08 — — EP disclosed
WO-1988006600-A1 SUBSTITUTED ALKYLAMIDES OF TEICOPLANIN COMPOUNDS GRUPPO LEPETIT S.P.A. (IT) 1988-09-07 — — WO disclosed
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