SCHEMBL8993494

SCHEMBL8993494

CCc1ccc([C@@H]2CC(=O)NN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDB1 Q16531 4/20 0.38
CRBN Q96SW2 4/20 0.38
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL7091735 0.77 SLC6A3 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5179397 0.76 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25935883 0.71 DDB1 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22918239 0.68 CHRNB2 (0.41) ALDH1A1SMN1; SMN2DDB1CRBN
SCHEMBL11444335 0.67 ALDH2 (0.55) DDB1CRBNFPR1FPR2
SCHEMBL25935699 0.67 CRBN (0.65) DDB1CRBN
SCHEMBL7980719 0.67 CYP19A1 (0.46) DDB1CRBN
SCHEMBL15493032 0.66 DDB1 (0.37) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12676475 0.66 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6178200 0.64 MKNK1 (0.48) MEN1KMT2ASMN1; SMN2

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
US-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed