SCHEMBL8800779

SCHEMBL8800779

OC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.51
MRGPRX1 Q96LB2 2/20 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
SCHEMBL2858162 0.87 TACR1 (0.55) TACR1
SCHEMBL2785002 0.87 TACR1 (0.55) TACR1
SCHEMBL2858767 0.87 TACR1 (0.55) TACR1
SCHEMBL2858768 0.87 TACR1 (0.55) TACR1
SCHEMBL8800656 0.87 TACR1 (0.55) TACR1
SCHEMBL699568 0.76 CHRNA7 (0.49) TACR1
SCHEMBL8801190 0.74 TACR1 (0.80) TACR1
Hydrochloric Acid SCHEMBL8801141 0.73 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL8801149 0.73 TACR1 (0.78) TACR1
Hydrochloric Acid SCHEMBL8801143 0.73 TACR1 (0.78) TACR1

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
EP-0499313-B1 Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME (GB) 1997-06-11 EP disclosed
US-5242930-A AZABICYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. 1993-09-07 US disclosed
EP-0499313-A1 Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-08-19 EP disclosed