SCHEMBL7334086

SCHEMBL7334086

c1ccc(CN=C2CCCCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACAT2 Q9BWD1 1/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CTSD P07339 4/20 0.34
HPGD P15428 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7626970 0.98 CRHBP (0.37) CRHBPCRHR2ALDH1A1LMNATP53
SCHEMBL7334489 0.93 CRHBP (0.38) CRHBPCRHR2ALDH1A1LMNATP53
SCHEMBL7334494 0.93 CRHBP (0.38) CRHBPCRHR2ALDH1A1LMNATP53
SCHEMBL7331600 0.83 NPC1 (0.38) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL7331603 0.83 NPC1 (0.38) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL7333678 0.81 MIF (0.41) ALDH1A1LMNAMAPK1KMT2AHSD17B10
SCHEMBL7331097 0.79 CYP2D6 (0.41) ALDH1A1LMNAMAPK1NPSR1SMN1; SMN2
SCHEMBL7324799 0.77 NISCH (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2CTSD
SCHEMBL7334912 0.76 CYP19A1 (0.38) KMT2ACTSD
SCHEMBL7334916 0.76 CYP19A1 (0.38) KMT2ACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198433-A Hypotensive MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-30 US disclosed
US-5158945-A Cardiotonic agents, vasodilators, hypotensive agents, anticonvulsants, antiisichemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-27 US disclosed
EP-0370320-B1 LACTAMIMIDES IN THE TREATMENT OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-30 EP disclosed
US-5128337-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-07 US disclosed
US-5082837-A Hypotensive MERRELL DOW PHARMACEUTICALS (US) 1992-01-21 US disclosed
US-5010072-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-23 US disclosed
EP-0370320-A1 Lactamimides in the treatment of drug-resistant protozoal infections MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-30 EP disclosed
EP-0348891-A2 Lactamimides as calcium antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-03 EP disclosed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US disclosed