SCHEMBL11456652

SCHEMBL11456652

O=C(O)c1ccccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTR7 P34969 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTR1A P08908 2/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL11448262 0.90 HTR1A (0.58) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11447935 0.88 POLB (0.60) KMT2ASMN1; SMN2HTR7POLBGFER
Hydrochloric Acid SCHEMBL11500448 0.88 HTR1A (0.57) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11457434 0.87 POLB (0.56) KMT2ASMN1; SMN2HTR7POLBGFER
Hydrochloric Acid SCHEMBL11446653 0.87 POLB (0.61) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11466045 0.86 HTR7 (0.61) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11465707 0.86 ALDH1A1 (0.55) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11447319 0.86 HTR7 (0.61) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11456795 0.86 POLB (0.52) KMT2ASMN1; SMN2HTR7POLBGFER
SCHEMBL11447576 0.86 HTR7 (0.55) KMT2ASMN1; SMN2HTR7POLBGFER

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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