SCHEMBL5888892

SCHEMBL5888892

CC(NC(=O)CCc1ccccc1)c1cccc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.52
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ENPP2 Q13822 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ OXGR1 Q96P68 1/20 0.42
▸ SUCNR1 Q9BXA5 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42

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
SCHEMBL5888887 1.00 PRCP (0.52) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5888640 0.88 LMNA (0.47) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5888642 0.88 LMNA (0.47) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5888153 0.84 PRCP (0.54) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5888147 0.84 PRCP (0.54) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL30795674 0.78 ALDH1A1 (0.54) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5888633 0.78 ALDH1A1 (0.54) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL5218642 0.78 ALDH1A1 (0.54) PRCPLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL6626296 0.77 TDP1 (0.59) LMNARAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6626299 0.77 TDP1 (0.59) LMNARAB9ASMN1; SMN2ALDH1A1MAPT

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-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
Send feedback