SCHEMBL9636765

SCHEMBL9636765

CCCCCN1C=CC(N)=CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
TLR8 Q9NR97 7/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
CYP19A1 P11511 1/20 0.31
SETD7 Q8WTS6 1/20 0.31

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
SCHEMBL28311753 0.98 PTGS1 (0.38) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL29148766 0.98 PTGS1 (0.38) GRM2PTGS1PTGS2MGLLFAAH
Bromide SCHEMBL28163104 0.97 PTGS1 (0.37) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL28139190 0.95 GRM2 (0.39) GRM2
SCHEMBL27860597 0.80 MGLL (0.36) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL11291370 0.80 PTGS1 (0.40) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL28139836 0.79
SCHEMBL4949042 0.79 GRM2 (0.36) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27696873 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27754562 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162338-A For improving myocardial contractility; hypertensive agents, reducing mucosal swelling; salt and fluid balance BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
EP-0231511-B1 4-AMINOARYLDIHYDROPYRIDINE LACTONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1991-04-10 EP claimed
US-4804667-A CARDIOTONIC, INOTROPIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US claimed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP claimed
US-5162338-A For improving myocardial contractility; hypertensive agents, reducing mucosal swelling; salt and fluid balance BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
EP-0231511-B1 4-AMINOARYLDIHYDROPYRIDINE LACTONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1991-04-10 EP disclosed
US-4804667-A CARDIOTONIC, INOTROPIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4804667-A CARDIOTONIC, INOTROPIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP disclosed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP disclosed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP disclosed