SCHEMBL5808653

SCHEMBL5808653

Cc1[nH]c2c(N3CCC(c4ccccc4)CC3)nccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.43
GRM2 Q14416 2/20 0.43
IP6K1 Q92551 1/20 0.41
DYRK1A Q13627 4/20 0.39
AOC3 Q16853 1/20 0.39
KIT P10721 2/20 0.39
DHFR P00374 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
SLC9A1 P19634 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL5806746 0.86 PDE3A (0.47) DYRK1APDE10A
SCHEMBL5805929 0.82 SMN1; SMN2 (0.48) GRM2DYRK1AKDM4EALDH1A1MAPT
SCHEMBL5811008 0.79 DYRK1A (0.54) DYRK1ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5805601 0.78 DYRK1A (0.44) DYRK1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5810349 0.78 DYRK1A (0.53) DYRK1ACYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5810941 0.76 SIGMAR1 (0.49) CYP1A2CYP3A4CYP2C19
SCHEMBL1738923 0.74 LMNA (0.51) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL5807182 0.74 GRM2 (0.46) SLC6A3GRM2AOC3DHFRPDE10A
SCHEMBL5811987 0.73 GRM2 (0.45) SLC6A3GRM2AOC3SMO
Hydrochloric Acid SCHEMBL5806259 0.73 GRM2 (0.45) SLC6A3GRM2AOC3DHFRPDE10A

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed