SCHEMBL7715928

SCHEMBL7715928

Cc1ccc(N2CCC(NCCN)CC2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
P2RX3 P56373 12/20 0.38
P2RX2 Q9UBL9 12/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.35
MTOR P42345 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35

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
SCHEMBL7716783 0.85 CHRM4 (0.45) FFAR4MTORRPTORMLST8
SCHEMBL7715960 0.82 CHRM4 (0.46) P2RX3P2RX2MAPTMEN1KMT2A
SCHEMBL7714987 0.82 KDM4E (0.44)
SCHEMBL7715921 0.79 FFAR4 (0.40) FFAR4
SCHEMBL16404655 0.77 MEN1 (0.52) FFAR4GAAMAPTHSD17B10MEN1
SCHEMBL20319361 0.76 ALDH1A1 (0.48) FFAR4P2RX3P2RX2GAAMAPT
SCHEMBL17708361 0.76 ALDH1A1 (0.49) FFAR4GAAMAPTHSD17B10MEN1
SCHEMBL20150022 0.75 HTR1D (0.48) FFAR4GAAMEN1KMT2AMTOR
SCHEMBL7717206 0.74 KDM4E (0.40)
SCHEMBL24632953 0.73 PDCD1 (0.46) FFAR4P2RX3P2RX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed