SCHEMBL8553210

SCHEMBL8553210

O=C(OCc1ccccc1)N1CCN(N2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
AVPR1A P37288 2/20 0.48
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BTK Q06187 1/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
MAPK8 P45983 1/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC7 Q9HCX4 1/20 0.44
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL8096479 0.83 HSD11B1 (0.55) OPRM1OPRK1OPRL1SMN1; SMN2NPC1
SCHEMBL27573221 0.76 AVPR1A (0.60) OPRM1OPRK1OPRL1AVPR1AKDM4E
SCHEMBL4676088 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ABTKJAK2
SCHEMBL29087407 0.75 SMN1; SMN2 (0.56) OPRL1SMN1; SMN2NPC1RAB9AJAK2
SCHEMBL4676594 0.75 SLC6A4 (0.53) OPRM1OPRK1OPRL1SMN1; SMN2NPC1
SCHEMBL4771971 0.74 AVPR1A (0.50) AVPR1AJAK2JAK1TYK2JAK3
SCHEMBL8103890 0.74 SLC6A4 (0.53) OPRM1OPRK1OPRL1AVPR1A
SCHEMBL1093313 0.73 PDE4B (0.57) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL16801526 0.73 KDM4E (0.69) OPRM1OPRK1OPRL1AVPR1AKDM4E
SCHEMBL6603778 0.73 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AJAK2JAK1

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-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed