SCHEMBL2852970

SCHEMBL2852970

O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
CNR1 P21554 1/20 0.50
CCR2 P41597 8/20 0.49
UBE2M P61081 3/20 0.49
DCUN1D1 Q96GG9 3/20 0.49
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL2854763 0.84 DRD4 (0.50) DRD2DRD4CNR1CCR2SIGMAR1
SCHEMBL2858205 0.81 RAB9A (0.49) CNR1KMT2A
SCHEMBL2853232 0.79 CCR1 (0.48) KMT2AKDM4E
SCHEMBL2857724 0.78 SIGMAR1 (0.53) SIGMAR1
SCHEMBL31616464 0.77 DRD2 (0.73) DRD2DRD4CNR1CCR2DCUN1D1
SCHEMBL31616395 0.77 DRD2 (0.73) DRD2DRD4CNR1CCR2DCUN1D1
SCHEMBL31616444 0.77 DRD2 (0.73) DRD2DRD4CNR1CCR2DCUN1D1
SCHEMBL2856146 0.77 CNR1 (0.53) CNR1KMT2AKDM4E
SCHEMBL2858063 0.77 MAPT (0.57) KDM4E
SCHEMBL2854169 0.76 MAPT (0.56) KMT2AKDM4E

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed