SCHEMBL11465720

SCHEMBL11465720

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.60
▸ HTR7 P34969 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ POLB P06746 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ DRD3 P35462 6/20 0.50
▸ DRD2 P14416 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ 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
SCHEMBL11500563 0.92 HTR7 (0.57) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11447319 0.90 HTR7 (0.61) HTR6HTR7KMT2APOLBGFER
SCHEMBL11446446 0.88 HTR6 (0.59) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11447731 0.88 GFER (0.60) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11446975 0.88 HTR7 (0.57) HTR6HTR7POLBGFERDRD3
SCHEMBL11446863 0.88 HTR7 (0.59) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11447935 0.87 POLB (0.60) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11446591 0.87 HTR7 (0.56) HTR6HTR7POLBGFER
Hydrochloric Acid SCHEMBL11446653 0.86 POLB (0.61) HTR6HTR7ALDH1A1MEN1TSHR
SCHEMBL11465177 0.85 HTR7 (0.56) HTR7ALDH1A1MEN1TSHRKMT2A

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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