SCHEMBL8520558

SCHEMBL8520558

Clc1ccc(CCNc2cn[nH]c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.46
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2309185 0.72 L3MBTL1 (0.70) GPR84HTTLMNAL3MBTL1MEN1
SCHEMBL23118869 0.72 KMT2A (0.58) HTTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29319384 0.72 TAAR1 (0.39) L3MBTL1MEN1KMT2ATAAR1TTBK1
SCHEMBL22957171 0.70
SCHEMBL26267972 0.69 TAAR1 (0.60) GPR84LMNAL3MBTL1MEN1KMT2A
SCHEMBL22894337 0.69 MAPT (0.65) GPR84LMNAL3MBTL1MEN1KMT2A
SCHEMBL28625506 0.69 MAPT (0.57) GPR84HTTLMNAL3MBTL1SMN1; SMN2
SCHEMBL5539704 0.69 GPR84 (0.50) GPR84HTTLMNAL3MBTL1MEN1
SCHEMBL22196935 0.69 HDAC3 (0.44) GPR84HTTLMNAKMT2ATAAR1
SCHEMBL3907319 0.68 L3MBTL1 (0.70) GPR84HTTLMNAL3MBTL1MEN1

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
EP-0946549-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998027087-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed