SCHEMBL8323699

SCHEMBL8323699

CCCOc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.83

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
SCHEMBL8320593 0.96 TACR1 (0.82) TACR1
SCHEMBL8325742 0.94 TACR1 (0.85) TACR1
SCHEMBL8325736 0.94 TACR1 (0.85) TACR1
SCHEMBL8194719 0.93 TACR1 (0.84) TACR1
SCHEMBL8190818 0.93 TACR1 (0.84) TACR1
SCHEMBL14198247 0.93 TACR1 (0.81) TACR1
Hydrochloric Acid SCHEMBL8321213 0.93 TACR1 (0.85) TACR1
SCHEMBL3373694 0.93 TACR1 (0.81) TACR1
Hydrochloric Acid SCHEMBL8321203 0.93 TACR1 (0.85) TACR1
SCHEMBL8191841 0.92 TACR1 (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919803-A TACHYKININ ANTAGONIST GLAXO GROUP LIMITED (GB) 1999-07-06 US claimed
US-5919803-A TACHYKININ ANTAGONIST GLAXO GROUP LIMITED (GB) 1999-07-06 US disclosed
EP-0815104-A1 3-BENZYLAMINO-2-PHENYLPIPERIDINES AS NEUROKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1998-01-07 EP disclosed
WO-1996029326-A1 3-BENZYLAMINO-2-PHENYLPIPERIDINES AS NEUROKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1996-09-26 WO disclosed