SCHEMBL7658624

SCHEMBL7658624

Cc1ccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
RAB9A P51151 2/20 0.64
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
IGF1R P08069 1/20 0.59
MET P08581 1/20 0.59
GABRA1 P14867 4/20 0.58
GABRG2 P18507 4/20 0.58
GABRB3 P28472 4/20 0.58
GABRA3 P34903 4/20 0.58
GABRA2 P47869 4/20 0.58
GABRB2 P47870 4/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CDK4 P11802 1/20 0.55

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
SCHEMBL3843612 0.90 POLB (0.71) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL11738453 0.80 POLB (0.60) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL3849918 0.79 POLB (1.00) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL12151686 0.79 POLB (0.65) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL3994500 0.78 POLB (0.77) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL24358707 0.78 GFER (0.81) MAPTLMNAKDM4EALDH1A1IGF1R
SCHEMBL11681172 0.78 POLB (0.71) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL1558423 0.77 ALDH1A1 (1.00) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL7657629 0.77 CYP2C19 (0.54) POLBRAB9AMAPTLMNAKDM4E
SCHEMBL6446945 0.77 CYP2C19 (0.73) POLBRAB9AMAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469006-B1 PARTICULARLY FOR TREATING HIV INFECTIONS BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
EP-1105135-A4 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1105135-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-13 EP disclosed
WO-2000076521-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-21 WO disclosed