SCHEMBL6975786

SCHEMBL6975786

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(C(=O)NCC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
CCR3 P51677 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL6985201 0.92 EPHX2 (0.45) POLBKMT2AMEN1LMNARAB9A
Hydrochloric Acid SCHEMBL6978492 0.92 EPHX2 (0.45) POLBKMT2AMEN1LMNARAB9A
SCHEMBL6984619 0.90 LMNA (0.42) TP53LMNASMN1; SMN2ALDH1A1
SCHEMBL7983728 0.86 CCR3 (0.33) POLBCCR3
Hydrochloric Acid SCHEMBL6986361 0.85 CCR3 (0.32) POLBCCR3
SCHEMBL8311013 0.84 EPHX2 (0.44) POLBKMT2AMEN1MAPTLMNA
SCHEMBL6980124 0.81 CHRM1 (0.32)
SCHEMBL6983686 0.81 CHRM1 (0.32)
Oxalic Acid SCHEMBL6980644 0.81 GRM5 (0.42) LMNARAB9ANPC1EPHX2
Mandelic Acid SCHEMBL9412809 0.81 PRCP (0.38)

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-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed