SCHEMBL11446001

SCHEMBL11446001

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.61
▸ DRD4 P21917 2/20 0.58
▸ HTR1A P08908 6/20 0.56
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ HTR7 P34969 1/20 0.51
▸ DRD3 P35462 2/20 0.50
▸ DRD2 P14416 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
▸ MEN1 O00255 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 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
SCHEMBL11446907 0.95 GFER (0.60) GFERDRD4HTR1AMAPTTP53
SCHEMBL11455011 0.92 DRD4 (0.58) GFERDRD4HTR1AMAPTTP53
SCHEMBL11447731 0.92 GFER (0.60) GFERDRD4HTR1AMAPTTP53
SCHEMBL11447565 0.92 GFER (0.60) GFERDRD4HTR1AMAPTTP53
SCHEMBL11454278 0.89 DRD4 (0.59) GFERDRD4MAPTTP53POLB
SCHEMBL11456872 0.88 GFER (0.56) GFERDRD4HTR1AMAPTTP53
SCHEMBL11446702 0.88 HTR1A (0.67) DRD4HTR1AMAPTTP53HTR7
SCHEMBL11447052 0.87 GFER (0.56) GFERDRD4HTR1AMAPTDRD3
SCHEMBL11447094 0.87 GFER (0.56) GFERDRD4HTR1AMAPTTP53
SCHEMBL11446412 0.87 HTR1A (0.59) GFERDRD4HTR1AMAPTTP53

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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