SCHEMBL7846875

SCHEMBL7846875

Cc1ccccc1CN1CCCc2ccc(OCCC3CCN(C(=O)OC(C)(C)C)CC3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
CSF1R P07333 1/20 0.43
KDR P35968 1/20 0.43
ACACB O00763 2/20 0.42
KDM1A O60341 1/20 0.41
CHEK2 O96017 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL7838252 0.97 GPR119 (0.50) GPR119CSF1RKDRACACBKDM1A
SCHEMBL7857235 0.90 GPR119 (0.53) GPR119CSF1RKDRACACBCHEK2
SCHEMBL7847387 0.89 GPR119 (0.52) GPR119CSF1RKDRACACB
Hydrochloric Acid SCHEMBL7847077 0.86 ACHE (0.47) ACACB
SCHEMBL7837991 0.86 GPR119 (0.59) GPR119
SCHEMBL7838157 0.83 HRH3 (0.44) ACACB
Hydrochloric Acid SCHEMBL7838260 0.83 HRH3 (0.50) ACACB
Hydrochloric Acid SCHEMBL7847176 0.83 KMT2A (0.46) ACACBCHEK2
SCHEMBL7850981 0.82 CHEK2 (0.47) ACACBCHEK2
Hydrochloric Acid SCHEMBL7850382 0.82 CXCR4 (0.48) ACACB

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-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed