SCHEMBL7065611

SCHEMBL7065611

COc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TACR1 P25103 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TACR3 P29371 1/20 0.46
SSTR1 P30872 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
F2 P00734 1/20 0.44
DHODH Q02127 2/20 0.43

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
SCHEMBL7065609 1.00 ATM (0.48) ATMTACR1HDAC1HDAC6TACR3
SCHEMBL4324281 0.80 CTSL (0.51) TACR1HDAC1HDAC6SSTR1CTSL
SCHEMBL4324286 0.80 CTSL (0.51) TACR1HDAC1HDAC6SSTR1CTSL
SCHEMBL12971777 0.79 ATM (0.55) ATMSSTR1CTSLCTSSCTSK
SCHEMBL1505365 0.79 ATM (0.55) ATMSSTR1CTSLCTSSCTSK
SCHEMBL27564744 0.79 SSTR1 (0.71) TACR1SSTR1CA2
SCHEMBL27584500 0.79 SSTR1 (0.71) TACR1SSTR1CA2
SCHEMBL394603 0.79 PTPRB (0.52) ATMCTSLCTSSCTSKALDH1A1
SCHEMBL394602 0.79 PTPRB (0.52) ATMCTSLCTSSCTSKALDH1A1
SCHEMBL394660 0.78 F11 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602849-B1 Cyclic somatostatin analogs SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2003-08-05 US disclosed
EP-1086131-A1 CYCLIC SOMATOSTATIN ANALOGS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-03-28 EP disclosed
WO-1999065942-A1 CYCLIC SOMATOSTATIN ANALOGS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 1999-12-23 WO disclosed