SCHEMBL2092979

SCHEMBL2092979

NC(=O)CCCC1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ TARDBP Q13148 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRM2 P08172 4/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ 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
▸ CHRM3 P20309 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 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
SCHEMBL4379412 0.86 ALOX5 (0.42) CHRNA7KMT2ATARDBPALDH1A1CHRM2
SCHEMBL28682845 0.84 ALOX5 (0.41) CHRNA7KMT2ATARDBPALDH1A1CHRM2
SCHEMBL660508 0.79 CHRNA7 (0.45) CHRNA7KMT2AALDH1A1CHRM2CYP2D6
SCHEMBL6573447 0.79 CHRNA7 (0.45) CHRNA7KMT2AALDH1A1CHRM2CYP2D6
SCHEMBL7328436 0.77 CHRNA7 (0.37) CHRNA7KMT2AALDH1A1CHRM2CYP2D6
SCHEMBL7416179 0.77 CHRNA7 (0.41) CHRNA7ALDH1A1CHRM2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL7362613 0.76 CHRNA7 (0.35) CHRNA7KMT2AALDH1A1CHRM2CYP2D6
SCHEMBL7323705 0.76 CHRNA7 (0.35) CHRNA7KMT2AALDH1A1CHRM2CYP2D6
SCHEMBL7424270 0.72 CHRNA7 (0.44) CHRNA7ALDH1A1CHRM2CYP2D6CHRM1
SCHEMBL13617347 0.72 CHRNA7 (0.39) CHRNA7KMT2AALDH1A1CHRM2CYP2D6

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
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 — — US disclosed
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