SCHEMBL9878657

SCHEMBL9878657

O=C(NCC#CCN1CCCC1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CHRM2 P08172 7/20 0.55
CHRM1 P11229 7/20 0.55
CHRM3 P20309 7/20 0.55
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL9473669 1.00 MEN1 (0.61) MEN1KMT2ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9473777 0.99 MEN1 (0.63) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL9473907 0.92 CHRM2 (0.55) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL9473202 0.92 ALDH1A1 (0.63) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL9474441 0.91 SMN1; SMN2 (0.60) MEN1KMT2ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9473568 0.91 CHRM2 (0.54) MEN1KMT2ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9473694 0.91 ALDH1A1 (0.65) MEN1KMT2ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9474648 0.90 SMN1; SMN2 (0.62) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL9472829 0.89 CHRM2 (0.51) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9472866 0.88 CHRM2 (0.50) MEN1KMT2ACHRM2CHRM1CHRM3

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-5036098-A Urogenital disorders NIPPON SHINYAKU CO., LTD. (JP) 1991-07-30 US disclosed