SCHEMBL11446863

SCHEMBL11446863

NC(=O)c1ccc(O)cc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.59
▸ HTR1A P08908 4/20 0.50
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTR6 P50406 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11447049 0.93 HTR7 (0.61) HTR7HTR1A
SCHEMBL11457535 0.91 HTR7 (0.59) HTR7HTR1AADRB2ADRB1ADRB3
SCHEMBL11447319 0.91 HTR7 (0.61) HTR7HTR1AKMT2ASMN1; SMN2MAPT
SCHEMBL11457088 0.89 HTR7 (0.52) HTR7HTR1AKMT2ASMN1; SMN2MAPT
SCHEMBL11446706 0.88 HTR1A (0.57) HTR7HTR1AKMT2ASMN1; SMN2MAPT
SCHEMBL11465720 0.88 HTR6 (0.60) HTR7KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL11446419 0.88 HSD17B10 (0.54) HTR7HTR1AADRA1DADRA1AADRA1B
SCHEMBL11448262 0.87 HTR1A (0.58) HTR7HTR1AKMT2ASMN1; SMN2TSHR
SCHEMBL11446975 0.87 HTR7 (0.57) HTR7HTR1AMAPTHTR6
SCHEMBL11456749 0.86 HTR7 (0.52) HTR7HTR1AKMT2ASMN1; SMN2MAPT

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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