SCHEMBL7345208

SCHEMBL7345208

O=C(O)c1ccccc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
PTK2B Q14289 1/20 0.56
TSHR P16473 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
HDAC7 Q8WUI4 1/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LPAR2 Q9HBW0 1/20 0.48
LPAR3 Q9UBY5 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL7337046 0.84 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL11141708 0.84 DRD2 (0.56) RAB9ASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL30231919 0.83 RAB9A (0.60) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL8688241 0.82 TSHR (0.50) RAB9ASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL11019595 0.81 RAB9A (0.67) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL28985967 0.81 DRD2 (0.62) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL30317447 0.81 DRD2 (0.62) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL212173 0.79 ALDH1A1 (0.79) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL15923823 0.78 RAB9A (0.63) RAB9ASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL11224202 0.78 RAB9A (0.59) RAB9ASMN1; SMN2MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
CN-1192729-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 CN disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed