SCHEMBL6996560

SCHEMBL6996560

Cn1ccc2c1CCn1ccnc1C2=C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 1.00
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6993236 0.83 HRH1 (0.71) HRH1
SCHEMBL8207088 0.81 HRH1 (0.69) HRH1
SCHEMBL6991699 0.81 HRH1 (0.68) HRH1HTR2A
SCHEMBL6990349 0.81 HRH1 (0.68) HRH1HTR2A
SCHEMBL6987747 0.77 HRH1 (0.62) HRH1HTR2AHTR2CADRA1AADRA1B
Water SCHEMBL6994538 0.77 HRH1 (0.62) HRH1HTR2AHTR2CHTR2B
SCHEMBL6999312 0.76 HRH1 (0.61) HRH1
SCHEMBL6988765 0.76 HRH1 (0.61) HRH1
SCHEMBL6996383 0.76 HRH1 (0.61) HRH1
SCHEMBL9259347 0.76 HRH1 (0.61) HRH1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
EP-0843679-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2001-11-07 EP disclosed
US-6251894-B1 SUBSTANCE P ANTAGONISTS JANSSEN PHARMACEUTICALS N.V. (BE) 2001-06-26 US disclosed
EP-0843679-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-05-27 EP disclosed
WO-1997024356-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-(FUSED IMIDAZOLE)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed