SCHEMBL8964228

SCHEMBL8964228

Cc1ccc(-c2nc(N3CCN(C(c4cccc(C)c4)c4cccc(C)c4)C(C)C3)c(C)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
MAPT P10636 5/20 0.36
SLC6A9 P48067 2/20 0.35
KIT P10721 3/20 0.34
LMNA P02545 2/20 0.33
SMO Q99835 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CD O00329 1/20 0.32
DGAT1 O75907 1/20 0.32
DGKA P23743 2/20 0.32
DGKZ Q13574 2/20 0.32
PIN1 Q13526 1/20 0.32

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
SCHEMBL8963694 0.90 TRPV1 (0.37) KIT
SCHEMBL8963753 0.70 ADRA2A (0.43) MAPTSMOPIN1
SCHEMBL8963661 0.68 CYP3A4 (0.49) LMNA
SCHEMBL8963706 0.66 LIMK2 (0.39) SLC6A9DGKADGKZ
SCHEMBL8964029 0.66 DRD4 (0.44) TP53MAPTTSHR
SCHEMBL8963977 0.66 NPY5R (0.35) MAPTDGAT1
SCHEMBL8963675 0.64 TACR1 (0.36) PIN1
Hydrochloric Acid SCHEMBL8963757 0.63 OPRM1 (0.43) MAPTSLC6A9LMNAPIN1
Hydrochloric Acid SCHEMBL8963766 0.61 OPRM1 (0.42) MAPTSLC6A9LMNAPIN1
SCHEMBL8964126 0.60 CTSS (0.52) LMNA

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed