SCHEMBL6991633

SCHEMBL6991633

N#Cc1ccc2c(ccn2CC2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
ACHE P22303 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PRMT5 O14744 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
THRB P10828 1/20 0.43
CCR3 P51677 1/20 0.41

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
Hydrochloric Acid SCHEMBL7950551 0.99 P2RX7 (0.46) P2RX7ACHEHRH3PRMT5DRD2
SCHEMBL6993372 0.93 ALDH1A1 (0.48) ACHEHRH3PRMT5DRD2DRD3
Hydrochloric Acid SCHEMBL7950497 0.92 ALDH1A1 (0.47) ACHEHRH3PRMT5DRD2DRD3
SCHEMBL6996474 0.91 KDM4E (0.46) P2RX7ACHEPRMT5CCR3
Hydrochloric Acid SCHEMBL7945151 0.90 KDM4E (0.45) P2RX7PRMT5CCR3
SCHEMBL6998550 0.90 DRD2 (0.49) P2RX7ACHEHRH3PRMT5DRD2
Hydrochloric Acid SCHEMBL7950663 0.89 DRD2 (0.48) P2RX7ACHEHRH3PRMT5DRD2
SCHEMBL6997268 0.88 CXCR4 (0.45) P2RX7PRMT5
SCHEMBL6994174 0.88 DRD2 (0.51) P2RX7PRMT5DRD2DRD3CCR3
Hydrochloric Acid SCHEMBL7945183 0.87 CXCR4 (0.44) P2RX7PRMT5

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
EP-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 EP disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 EP disclosed