SCHEMBL8963702

SCHEMBL8963702

Cc1ccc(-c2nc(C(Cc3ccccc3)(c3ccc(Cl)cc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.35
CETP P11597 4/20 0.35
CXCR2 P25025 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 1/20 0.33
DGAT1 O75907 1/20 0.33
PRMT5 O14744 3/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL8964115 0.74 DRD2 (0.37) NPY5RMAPTPRMT5
Hydrochloric Acid SCHEMBL8963582 0.73 CETP (0.33) PRCPCETPCXCR2NPY5RLMNA
Hydrochloric Acid SCHEMBL8963768 0.73 NPY5R (0.38) PRCPCETPNPY5RPRMT5SLC2A1
Hydrochloric Acid SCHEMBL8963523 0.72 CETP (0.32) CETPPRMT5SLC2A1
Hydrochloric Acid SCHEMBL8963834 0.72 DRD2 (0.35) NPY5RPRMT5
Hydrochloric Acid SCHEMBL8963446 0.71 PRMT5 (0.36) CETPNPY5RALDH1A1TSHRPRMT5
SCHEMBL8963897 0.71 PRMT5 (0.36) NPY5RALDH1A1PRMT5KMT2AHTR3A
Hydrochloric Acid SCHEMBL8963569 0.71 NPY5R (0.38) CETPNPY5RLMNAKMT2ASLC2A1
SCHEMBL8963837 0.70 PRMT5 (0.35) NPY5RALDH1A1LMNAMAPTDGAT1
Hydrochloric Acid SCHEMBL8963626 0.69 CETP (0.36) CETPNPY5RLMNAMAPTPRMT5

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