SCHEMBL10876008

SCHEMBL10876008

COc1ccc(C2Cc3ccccc3C3CNCCC23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.47
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
MAOA P21397 2/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
REN P00797 2/20 0.41
FPR1 P21462 2/20 0.38
CACNA1S Q13698 2/20 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
SCHEMBL10676698 0.76 REN (0.51) MAOAKDM1AMAOBRENFPR1
SCHEMBL10675560 0.76 REN (0.51) MAOAKDM1AMAOBRENFPR1
SCHEMBL10675547 0.76 REN (0.51) MAOAKDM1AMAOBRENFPR1
SCHEMBL10676707 0.76 REN (0.51) MAOAKDM1AMAOBRENFPR1
SCHEMBL10675553 0.76 REN (0.51) MAOAKDM1AMAOBRENFPR1
Hydrochloric Acid SCHEMBL10680208 0.74 REN (0.50) MAOAKDM1AMAOBRENFPR1
SCHEMBL9148331 0.73 KDM1A (0.53) GID4MAOAKDM1AMAOBCACNA1S
SCHEMBL9145505 0.73 KDM1A (0.53) GID4MAOAKDM1AMAOBCACNA1S
SCHEMBL27569651 0.72 EDNRA (0.52) GID4MAOAKDM1AMAOBCACNA1S
SCHEMBL10724458 0.71 MAOA (0.43) GID4MAOAKDM1AMAOBREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201085-A2 6-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenz(h) isoquinolines PENNWALT CORPORATION (US) 1986-11-12 EP disclosed