SCHEMBL2854286

SCHEMBL2854286

O=C(NC1CCNCC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
SPR P35270 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 3/20 0.46
KHK P50053 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GPR6 P46095 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
TRPC3 Q13507 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.42
CRHR1 P34998 1/20 0.42

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
SCHEMBL10366974 0.92 HSD11B1 (0.56) HSD11B1SPRKDM4EALDH1A1CNR1
SCHEMBL2851938 0.90 SPR (0.56) HSD11B1SPRKDM4EALDH1A1CNR1
SCHEMBL10364638 0.81 NPC1 (0.59) HSD11B1SPRKDM4EALDH1A1MAPT
SCHEMBL3423825 0.81 KDM4E (0.49) HSD11B1SPRKDM4EALDH1A1CNR1
SCHEMBL3390177 0.81 KDM4E (0.49) HSD11B1SPRKDM4EALDH1A1CNR1
SCHEMBL10365365 0.81 ALDH1A1 (0.69) HSD11B1SPRKDM4EALDH1A1MAPT
SCHEMBL2854105 0.81 LMNA (0.58) KDM4EALDH1A1CNR1CNR2MAPT
SCHEMBL2859309 0.81 POLB (0.61) ALDH1A1MAPTSMN1; SMN2TP53POLB
SCHEMBL10364982 0.81 KDM4E (0.53) HSD11B1SPRKDM4EALDH1A1CNR1
SCHEMBL2860624 0.80 SPR (0.57) HSD11B1SPRKDM4EALDH1A1MAPT

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