SCHEMBL6981567

SCHEMBL6981567

CC1=C(C)C2=C(N)[C@@](C)(CN3CCC(c4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HTR7 P34969 2/20 0.38
SLC18A3 Q16572 6/20 0.38
SIGMAR1 Q99720 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL6985853 0.99 DRD2 (0.40) DRD2CARM1PRMT6HTR7SLC18A3
Hydrochloric Acid SCHEMBL6984760 0.99 DRD2 (0.40) DRD2CARM1PRMT6HTR7SLC18A3
SCHEMBL6985256 0.89 MEN1 (0.39) MEN1KMT2ATP53
SCHEMBL6974487 0.89 DRD2 (0.38) DRD2CARM1PRMT6HTR7SLC18A3
SCHEMBL6977829 0.88 DRD2 (0.38) DRD2CARM1PRMT6HTR7SLC18A3
SCHEMBL6979708 0.85 PRMT6 (0.43) CARM1PRMT6SIGMAR1
SCHEMBL6982085 0.84 DRD2 (0.41) DRD2CARM1PRMT6HTR7SLC18A3
SCHEMBL6983492 0.82 CHRNA7 (0.40) DRD2HTR7SIGMAR1CYP2D6HTR1A
SCHEMBL6981079 0.82 HRH3 (0.40) CARM1PRMT6SLC18A3SIGMAR1CYP2D6
Hydrochloric Acid SCHEMBL6979051 0.81 LMNA (0.41) DRD2SIGMAR1MEN1KMT2ATSHR

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 3 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 claimed
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