SCHEMBL8946337

SCHEMBL8946337

CCN(CC)c1ccc2c(c1)C1Cc3ccccc3C1N2CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.33
GHSR Q92847 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
NLRP3 Q96P20 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TERT O14746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAOB P27338 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8946326 1.00 AVPR2 (0.33) AVPR2GHSRSIGMAR1MEN1RAB9A
SCHEMBL8946786 0.81 CREBBP (0.40) AVPR2GHSRMEN1KMT2AGAA
SCHEMBL8946443 0.81 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8946438 0.81 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8946449 0.81 SIGMAR1 (0.38) SIGMAR1
SCHEMBL24793785 0.68 HTR2A (0.43) SIGMAR1
SCHEMBL8946696 0.68 ALDH1A1 (0.35) AVPR2GHSRMEN1RAB9AKMT2A
SCHEMBL8946691 0.68 ALDH1A1 (0.35) AVPR2GHSRMEN1RAB9AKMT2A
SCHEMBL8946686 0.68 ALDH1A1 (0.35) AVPR2GHSRMEN1RAB9AKMT2A
SCHEMBL24793786 0.68 ALDH1A1 (0.33) SIGMAR1ALDH1A1

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-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed