SCHEMBL7705256

SCHEMBL7705256

COC(=O)CC1CN(c2ccccc2)c2cc(N)cnc2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.39
CACNA1G O43497 1/20 0.38
NPC1 O15118 2/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
DGAT1 O75907 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
F10 P00742 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
SCHEMBL7711555 0.83 TSHR (0.39) GRM2CACNA1GNPC1OPRM1KCNH2
SCHEMBL7708679 0.75 CASR (0.47) GRM2NPC1OPRM1KCNH2SIGMAR1
SCHEMBL6860561 0.75 CASR (0.47) GRM2NPC1OPRM1KCNH2SIGMAR1
SCHEMBL7708641 0.72 ALDH1A1 (0.43) MAPTSMN1; SMN2KMT2A
SCHEMBL7705262 0.69 TSHR (0.47) MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL7708663 0.69 POLB (0.46) MAPTSMN1; SMN2KMT2ATSHR
Hydrochloric Acid SCHEMBL6854351 0.69 GRM2 (0.39) GRM2SIGMAR1
SCHEMBL7711755 0.68 GAA (0.39) NPC1MAPTRAB9AKMT2ATSHR
SCHEMBL7711502 0.67 ITGB3 (0.41) KCNH2SMN1; SMN2KMT2A
SCHEMBL13009737 0.65 OPRK1 (0.48) DGAT1

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
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed