SCHEMBL3729078

SCHEMBL3729078

CN1CCC(n2cnc3ccccc32)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
SLC6A4 P31645 1/20 0.64
OPRM1 P35372 1/20 0.56
OPRL1 P41146 1/20 0.56
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.51
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
ADRA2A P08913 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
PRMT5 O14744 2/20 0.44
CTSS P25774 1/20 0.43

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
SCHEMBL3730443 0.91 DRD2 (0.72) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL15944159 0.82 DRD2 (0.45) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL15943820 0.80 DRD2 (0.43) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL432010 0.80 DRD2 (0.65) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL4282464 0.79 CHEK2 (0.44) DRD2SLC6A4KMT2AALDH1A1USP2
SCHEMBL3931858 0.77 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL11562405 0.77 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL13801310 0.76 DRD2 (0.60) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL6211429 0.76 OPRM1 (0.63) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL19658653 0.75 USP2 (0.65) DRD2SLC6A4OPRM1OPRL1KMT2A

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed