SCHEMBL7307996

SCHEMBL7307996

CCOC(=O)CNCc1c(C)cccc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.44
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
PPIG Q13427 1/20 0.44
NLRP3 Q96P20 5/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CHEK1 O14757 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
LTA4H P09960 3/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL16063626 0.86 HTT (0.48) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL15832142 0.85 PPID (0.60) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL11864885 0.83 PPID (0.40) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL20558220 0.82 CYP4F2 (0.48) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL9752201 0.81 CYP4F2 (0.49) NLRP3ALDH1A1HSD17B10CHEK1KMT2A
SCHEMBL10682599 0.79 PPID (0.48) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL4003642 0.79 HTT (0.55) PPIDNLRP3ALDH1A1KMT2AMAPT
SCHEMBL14159900 0.78 PPID (0.42) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL30505642 0.78 PPID (0.42) PPIDPPIBPPIAPPIGNLRP3
SCHEMBL278947 0.78 PPID (0.42) PPIDPPIBPPIAPPIGNLRP3

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
US-4208521-A Process for the preparation of imidazo[2,1-b]quinazolinones BRISTOL-MYERS COMPANY (US) 1980-06-17 US claimed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-4208521-A Process for the preparation of imidazo[2,1-b]quinazolinones BRISTOL-MYERS COMPANY (US) 1980-06-17 US disclosed
US-3983120-A HYPOTENSIVES, ANTICLOTTING BRISTOL-MYERS COMPANY (US) 1976-09-28 US disclosed
US-3983119-A Process for the preparation of optionally substituted 1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-2-ones BRISTOL-MYERS COMPANY (US) 1976-09-28 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed