SCHEMBL9808046

SCHEMBL9808046

Cc1cc(OCc2ccccc2)cc(C)c1NC(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LTA4H P09960 2/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
PTPRB P23467 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 1/20 0.45
MAOB P27338 2/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL19857113 0.87 MEN1 (0.55) MRGPRX4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7808144 0.85 HPGD (0.64) MRGPRX4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9031774 0.78 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL3224230 0.77 LTA4H (0.76) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL10735781 0.77 MRGPRX4 (0.45) MRGPRX4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9808278 0.76 ALDH1A1 (0.55) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7227329 0.76 HPGD (0.49) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10905417 0.76 MRGPRX4 (0.44) MRGPRX4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10903897 0.76 L3MBTL1 (0.55) MRGPRX4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8057855 0.76 MEN1 (0.55) MRGPRX4MEN1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US disclosed
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US disclosed
US-4880808-A SEDATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-14 US disclosed