SCHEMBL9960396

SCHEMBL9960396

CC(C)N1CCN(c2nc3cc(C4(c5ccc6sc(N7CCN(C(C)C)CC7)nc6c5)CCCN4C=O)ccc3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.38
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR6 P50406 2/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3468880 0.76 OGA (0.44) OGANPC1RAB9ATSHRNPSR1
SCHEMBL14403537 0.72 NPC1 (0.51) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3469499 0.72 RAB9A (0.55) OGANPC1RAB9ATSHRNPSR1
SCHEMBL3468859 0.72 USP2 (0.38) OGANPC1RAB9AUSP2TSHR
SCHEMBL3468716 0.71 NPC1 (0.56) OGANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL3468608 0.70 HRH3 (0.41) OGANPC1RAB9AHTR6SMN1; SMN2
SCHEMBL9959266 0.70 OGA (0.40) OGANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3468609 0.70 HPGD (0.58) NPC1RAB9ATSHRSMN1; SMN2MAPT
SCHEMBL3468671 0.69 RAB9A (0.49) OGANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3468828 0.69 DPP4 (0.46) OGANPC1RAB9ATSHRNPSR1

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
EP-1999120-B1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-27 EP disclosed