SCHEMBL8045751

SCHEMBL8045751

COc1ccccc1[C@@H]1CCN(CCCCN)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GRM2 Q14416 1/20 0.49
ATM Q13315 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A4 P31645 1/20 0.47
DRD4 P21917 1/20 0.46

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
SCHEMBL8043711 1.00 DRD2 (0.61) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8043716 1.00 DRD2 (0.61) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8042457 0.96 DRD2 (0.63) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8043603 0.91 DRD2 (0.66) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8042436 0.91 DRD2 (0.66) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8042432 0.91 DRD2 (0.66) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8041668 0.84 DRD2 (0.57) DRD2MEN1KMT2AGRM2ATM
SCHEMBL4747037 0.83 DRD2 (0.76) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8041643 0.82 DRD2 (0.59) DRD2MEN1KMT2AGRM2ATM
SCHEMBL8042461 0.82 DRD2 (0.59) DRD2MEN1KMT2AGRM2ATM

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