SCHEMBL11455011

SCHEMBL11455011

COc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.58
▸ HTR1A P08908 6/20 0.56
▸ GFER P55789 2/20 0.56
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ HTR7 P34969 1/20 0.51
▸ DRD3 P35462 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ DRD2 P14416 1/20 0.50

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
SCHEMBL11446412 0.95 HTR1A (0.59) DRD4HTR1AGFERTP53MAPT
SCHEMBL11446001 0.92 GFER (0.61) DRD4HTR1AGFERTP53MAPT
SCHEMBL11465416 0.92 DRD4 (0.60) DRD4HTR1AGFERTP53MAPT
SCHEMBL11457057 0.91 DRD4 (0.59) DRD4HTR1AGFERTP53MAPT
SCHEMBL11457667 0.90 MAPT (0.54) DRD4HTR1AGFERMAPTPOLB
SCHEMBL11465661 0.89 DRD4 (0.59) DRD4GFERTP53MAPTPOLB
SCHEMBL11446172 0.88 DRD4 (0.56) DRD4HTR1AGFERTP53MAPT
SCHEMBL11446702 0.88 HTR1A (0.67) DRD4HTR1ATP53MAPTHTR7
SCHEMBL11447052 0.87 GFER (0.56) DRD4HTR1AGFERMAPTDRD3
SCHEMBL11457535 0.87 HTR7 (0.59) DRD4HTR1AMAPTHTR7DRD3

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
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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