SCHEMBL7836673

SCHEMBL7836673

CC1(C)C(=O)N(CCO)c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 2/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 7/20 0.43
MAPT P10636 5/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
ANPEP P15144 3/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 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
SCHEMBL247762 0.88 ALDH1A1 (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL7836213 0.84 TP53 (0.46) KMT2AMEN1PKMALDH1A1TP53
SCHEMBL7825844 0.82 PARK7 (0.47) KMT2AMEN1MAPTLMNAANPEP
SCHEMBL7836004 0.82 LMNA (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL5007556 0.82 HSPA9 (0.39) KMT2AMEN1TP53MAPTLMNA
SCHEMBL30642207 0.81 ANPEP (0.49) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL26640052 0.81 ANPEP (0.49) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL26756233 0.81 CUL4A (0.55) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL7833333 0.80 TDP1 (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7832671 0.79 MEN1 (0.44) KMT2AMEN1PKMTP53MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
CN-1157822-A Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-08-27 CN disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed