SCHEMBL7715960

SCHEMBL7715960

N#Cc1cc(C(F)(F)F)ccc1N1CCC(NCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.46
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FFAR2 O15552 1/20 0.42
MC4R P32245 1/20 0.42
SLC2A1 P11166 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
ACACB O00763 1/20 0.39
SLC6A9 P48067 1/20 0.38
CYP3A4 P08684 2/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL7716783 0.84 CHRM4 (0.45) CHRM4DPP4DPP8DPP9KDM4E
SCHEMBL7715928 0.82 FFAR4 (0.39) MAPTP2RX3P2RX2MEN1KMT2A
SCHEMBL7711061 0.80 CHRM4 (0.48) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL7714987 0.79 KDM4E (0.44) CHRM4CYP3A4KDM4EALDH1A1
SCHEMBL13175769 0.77 AR (0.52) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL12835692 0.76 FFAR2 (0.45) CHRM4DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL1514544 0.75 FFAR2 (0.44) CHRM4DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL1514406 0.75 FFAR2 (0.44) CHRM4DPP4DPP8DPP9DPP7
SCHEMBL12644303 0.73 FFAR2 (0.62) CHRM4FFAR2SMN1; SMN2TSHRLMNA
SCHEMBL20150022 0.72 HTR1D (0.48) CHRM4DPP4DPP8DPP9SMN1; SMN2

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