SCHEMBL7105322

SCHEMBL7105322

O=c1[nH]c2ccccc2n1CCN1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.59
▸ SIGMAR1 Q99720 3/20 0.59
▸ HTR7 P34969 1/20 0.54
▸ P2RX7 Q99572 1/20 0.54
▸ CHRNA7 P36544 1/20 0.52
▸ BCHE P06276 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL7014983 0.91 SIGMAR1 (0.59) SIGMAR1HTR7P2RX7KDM4E
SCHEMBL7025100 0.88 ACHE (0.52) ACHESIGMAR1HTR7P2RX7
SCHEMBL7018628 0.88 ACHE (0.62) ACHESIGMAR1
Hydrochloric Acid SCHEMBL7017827 0.86 P2RX7 (0.47) ACHESIGMAR1HTR7P2RX7
SCHEMBL7020987 0.80 MEN1 (0.59) SIGMAR1
SCHEMBL7020012 0.80 ACHE (0.52) ACHEHTR7P2RX7
SCHEMBL7015483 0.80 GRIN2B (0.48) SIGMAR1HTR7P2RX7
SCHEMBL7021764 0.80 GRIN2B (0.48) SIGMAR1HTR7P2RX7
SCHEMBL7016337 0.78 MEN1 (0.49) SIGMAR1HTR7P2RX7
SCHEMBL7018787 0.78 HTR7 (0.49) ACHESIGMAR1HTR7P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705832-B1 Serotonergic modulators LILLY CO ELI (GB) 2003-08-13 — — EP disclosed
US-5563147-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 — — US disclosed
EP-0705832-A1 Serotonergic modulators LILLY INDUSTRIES LIMITED (GB) 1996-04-10 — — EP disclosed
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