SCHEMBL7484451

SCHEMBL7484451

COC(=O)C[C@H](N)c1ccc(N(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)nc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
P2RX7 Q99572 11/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
KCNA5 P22460 1/20 0.31

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
Hydrochloric Acid SCHEMBL6740643 0.75 ITGB1 (0.40) TRPM8
SCHEMBL5091415 0.73 NNMT (0.46) MAPTRAB9APOLB
SCHEMBL7081677 0.73 NNMT (0.46) MAPTRAB9APOLB
SCHEMBL5801185 0.72 KMT2A (0.50) MAPTRAB9A
SCHEMBL27552110 0.72 MAPT (0.40) MAPTRAB9AP2RX7SMN1; SMN2KCNA5
SCHEMBL7669220 0.70 JAK2 (0.46) MAPTRAB9APKMPOLB
SCHEMBL4798192 0.70 TRPM8 (0.44) MAPTRAB9ATRPM8SMN1; SMN2POLB
SCHEMBL6742389 0.69 TRPM8 (0.40) MAPTRAB9ATRPM8SMN1; SMN2GLA
SCHEMBL4802020 0.69 TRPM8 (0.43) MAPTRAB9ATRPM8SMN1; SMN2POLB
SCHEMBL29954427 0.69 MAPT (0.35) MAPTRAB9AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089989-A1 INHIBITORS OF ALPHA4BETA1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 2001-04-11 EP disclosed
WO-1999067230-A1 INHIBITORS OF α4β1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 1999-12-29 WO disclosed