SCHEMBL5696649

SCHEMBL5696649

COc1ccc(C2(O)CCNCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
PDE10A Q9Y233 3/20 0.41
SYK P43405 1/20 0.38
DRD2 P14416 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR2 P41597 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SLC6A2 P23975 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
SCHEMBL1511641 0.85 PDE10A (0.50) PDE10ASYKKCNH2CCR2PDK2
SCHEMBL2483932 0.80 PDE10A (0.40) PDE10AKCNH2CCR2PDK2CYP3A4
SCHEMBL13646228 0.78 SIGMAR1 (0.39) SIGMAR1SYKDRD2CCNT1CDK9
SCHEMBL2512346 0.78 POLB (0.43) PDE10A
SCHEMBL1749680 0.76 DRD2 (0.40) SIGMAR1SYKDRD2HTR2CCCNT1
SCHEMBL652585 0.76 DRD2 (0.56) SIGMAR1SYKDRD2
SCHEMBL654668 0.75 DRD2 (0.59) SIGMAR1DRD2CHRNB2CHRNA4OPRD1
SCHEMBL25218643 0.75 OPRM1 (0.40) SIGMAR1HTR2CHTR3EHTR3BADRB1
SCHEMBL13646222 0.74 SMO (0.46) SIGMAR1SYKDRD2OPRD1
Hydrochloric Acid SCHEMBL9529474 0.73 DRD2 (0.58) SIGMAR1DRD2CHRNB2CHRNA4OPRD1

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
EP-1673367-A1 FUSED LACTAM COMPOUNDS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035523-A1 FUSED LACTAM COMPOUNDS PFIZER JAPAN INC. (JP) 2005-04-21 WO disclosed