SCHEMBL20069153

SCHEMBL20069153

CN1CCC(C)(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
KDM4E B2RXH2 3/20 0.53
PDPK1 O15530 1/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CETP P11597 1/20 0.43
NPY2R P49146 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1522066 0.86 NAPRT (0.52) DRD2RAB9ALMNASMN1; SMN2TSHR
SCHEMBL20147938 0.83 ALDH1A1 (0.53) DRD2LMNASMN1; SMN2TSHRCYP2C19
SCHEMBL21651967 0.83 DRD2 (0.60) DRD2KDM4ERAB9ALMNASMN1; SMN2
SCHEMBL20069164 0.83 KDM4E (0.49) DRD2KDM4ERAB9ALMNASMN1; SMN2
SCHEMBL20069616 0.83 POLB (0.53) KDM4ERAB9ASMN1; SMN2TSHRCYP1A2
SCHEMBL22857089 0.81 DRD2 (0.49) DRD2LMNATSHRCYP2C19CYP1A2
SCHEMBL20224882 0.79 CYP1A2 (0.52) DRD2LMNASMN1; SMN2TSHRCYP2C19
SCHEMBL20069615 0.78 ALDH1A1 (0.52) PDPK1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20137661 0.78 TSHR (0.52) DRD2KDM4ETSHRCYP2C19CYP1A2
SCHEMBL20069163 0.77 OPRD1 (0.40) KDM4EPDPK1ALDH1A1KMT2ACETP

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
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed