SCHEMBL8911301

SCHEMBL8911301

CCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 1/20 0.47
NR1I2 O75469 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CNR1 P21554 1/20 0.47
HRH1 P35367 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
GHSR Q92847 1/20 0.47
OPRD1 P41143 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 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
SCHEMBL8031455 0.88 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1LMNAMMP1
SCHEMBL8020085 0.86 LMNA (0.59) MEN1KMT2ASIGMAR1LMNAMMP1
SCHEMBL8029654 0.85 IGF1R (0.55) MEN1KMT2ASIGMAR1LMNAMMP1
SCHEMBL5752956 0.85 KDM4E (0.54) MEN1KMT2ASIGMAR1KCNH2MMP1
SCHEMBL8033313 0.79 KDM4E (0.58) MEN1KMT2ASIGMAR1LMNAOPRK1
SCHEMBL8910223 0.79 KMT2A (0.61) MEN1KMT2ASIGMAR1LMNAKDM4E
SCHEMBL8029639 0.78 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1LMNAKDM4E
SCHEMBL8029891 0.77 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1LMNAMMP1
SCHEMBL8029642 0.77 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1LMNAKCNH2
SCHEMBL8035814 0.76 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1MMP1MMP9

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-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed