SCHEMBL8042436

SCHEMBL8042436

COc1ccccc1C1CCN(CCN)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ATM Q13315 1/20 0.52
GRM2 Q14416 1/20 0.52
DRD4 P21917 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL8043603 1.00 DRD2 (0.66) DRD2MEN1KMT2AATMGRM2
SCHEMBL8042432 1.00 DRD2 (0.66) DRD2MEN1KMT2AATMGRM2
SCHEMBL4747037 0.93 DRD2 (0.76) DRD2MEN1KMT2AATMGRM2
SCHEMBL8042457 0.92 DRD2 (0.63) DRD2MEN1KMT2AATMGRM2
SCHEMBL8043711 0.91 DRD2 (0.61) DRD2MEN1KMT2AATMGRM2
SCHEMBL8045751 0.91 DRD2 (0.61) DRD2MEN1KMT2AATMGRM2
SCHEMBL8043716 0.91 DRD2 (0.61) DRD2MEN1KMT2AATMGRM2
SCHEMBL8041665 0.82 DRD2 (0.61) DRD2MEN1KMT2AATMGRM2
SCHEMBL8041667 0.82 DRD2 (0.61) DRD2MEN1KMT2AATMGRM2
SCHEMBL13376707 0.81 PRMT3 (0.45) DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
WO-1999057122-A1 3-PHENYLPYRROLE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed