SCHEMBL7289482

SCHEMBL7289482

NCCCCN1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.67
DRD2 P14416 1/20 0.56
HTR1A P08908 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR7 P34969 1/20 0.50
PARP1 P09874 1/20 0.49

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
SCHEMBL6626009 0.95 SIGMAR1 (0.65) SIGMAR1DRD2HTR1AMEN1KMT2A
SCHEMBL7292781 0.87 SIGMAR1 (0.64) SIGMAR1HTR1AHTR7PARP1
SCHEMBL11830521 0.85 SIGMAR1 (0.64) SIGMAR1DRD2MEN1KMT2AHTR7
SCHEMBL11835559 0.85 SIGMAR1 (0.50) SIGMAR1DRD2
SCHEMBL7297566 0.85 SIGMAR1 (0.63) SIGMAR1DRD2HTR1APARP1
Hydrochloric Acid SCHEMBL7299927 0.84 SIGMAR1 (0.61) SIGMAR1DRD2HTR1APARP1
SCHEMBL11938943 0.84 SIGMAR1 (0.65) SIGMAR1DRD2HTR1AHTR7
SCHEMBL5846298 0.83 SIGMAR1 (0.68) SIGMAR1DRD2HTR1AHTR7PARP1
SCHEMBL6635917 0.82 SIGMAR1 (0.61) SIGMAR1DRD2HTR1AHTR7PARP1
Hydrochloric Acid SCHEMBL5846785 0.82 SIGMAR1 (0.67) SIGMAR1DRD2HTR1AHTR7PARP1

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
EP-0436157-B1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5296487-A Dopamine antagonist for nervous system disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5264438-A Dopamine receptor agonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
EP-0436157-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 EP disclosed