SCHEMBL11500563

SCHEMBL11500563

COC(=O)c1cc(O)ccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.57
▸ HTR6 P50406 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DRD4 P21917 1/20 0.52
▸ GFER P55789 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ DRD3 P35462 6/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL11465720 0.92 HTR6 (0.60) HTR7HTR6ALDH1A1MEN1TSHR
SCHEMBL11457057 0.90 DRD4 (0.59) HTR7HTR6ALDH1A1MEN1TSHR
SCHEMBL11466045 0.89 HTR7 (0.61) HTR7KMT2ADRD4GFERPOLB
SCHEMBL11447935 0.89 POLB (0.60) HTR7HTR6ALDH1A1MEN1TSHR
SCHEMBL11448339 0.88 HTR6 (0.54) HTR7HTR6ALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL11446653 0.88 POLB (0.61) HTR7HTR6ALDH1A1MEN1TSHR
SCHEMBL11446743 0.87 HTR7 (0.57) HTR7DRD4GFERPOLBDRD3
SCHEMBL11457535 0.87 HTR7 (0.59) HTR7KMT2ADRD4DRD3MAPT
SCHEMBL11454852 0.86 HTR7 (0.56) HTR7DRD4GFERPOLB
SCHEMBL11447731 0.85 GFER (0.60) HTR7HTR6ALDH1A1MEN1TSHR

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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