SCHEMBL8428635

SCHEMBL8428635

Cc1cccc(NC(=O)OC(C)(C)C)c(=O)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
BRD9 Q9H8M2 1/20 0.44
LCK P06239 4/20 0.43
GPR139 Q6DWJ6 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
METAP1 P53582 1/20 0.43
RAB9A P51151 1/20 0.41
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL31151002 0.80 RAB9A (0.62) RAB9A
SCHEMBL533505 0.80 RAB9A (0.62) RAB9A
SCHEMBL30471577 0.80 MAPT (0.57) POLB
SCHEMBL7748081 0.80 MAPT (0.57) POLB
SCHEMBL7492637 0.78 METAP1 (0.52) P2RX7BRD9RXFP1METAP1RAB9A
SCHEMBL2880191 0.77 LMNA (0.54) BRD9RXFP1METAP1RAB9ALMNA
SCHEMBL1534089 0.74 NPC1 (0.58) BRD9RXFP1RAB9ALMNAPOLB
SCHEMBL3784448 0.74 GPR35 (0.50) P2RX7BRD9LCKRXFP1METAP1
SCHEMBL2880194 0.74 BRD9 (0.52) P2RX7BRD9RXFP1METAP1RAB9A
Acetic Acid SCHEMBL8786646 0.74 METAP1 (0.49) P2RX7BRD9RXFP1METAP1RAB9A

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
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed