SCHEMBL8945969

SCHEMBL8945969

Cc1ccsc1C(CNC(=O)c1ccccc1)N(C)C=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGAV P06756 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8946005 0.71 ALOX5 (0.32) NPC1RAB9AALDH1A1
SCHEMBL9425099 0.71 ALOX5 (0.33)
Hydrochloric Acid SCHEMBL8945763 0.70 CXCR1 (0.32)
SCHEMBL10587312 0.69 AOC3 (0.42) ALDH1A1LMNA
SCHEMBL7748143 0.66 MAPK10 (0.65) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
Hydrochloric Acid SCHEMBL8945904 0.65 ALDH1A1 (0.32) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL255251 0.65 GAA (0.76) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL8506869 0.64 NPC1 (0.66) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL8507006 0.64 NPC1 (0.66) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL27386734 0.64 NPC1 (0.61) SMN1; SMN2NPC1RAB9AHPGDALDH1A1

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed