SCHEMBL6992420

SCHEMBL6992420

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNC(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.50
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL6995129 0.78 LMNA (0.49) ALDH1A1POLBMEN1KMT2A
SCHEMBL6698689 0.78 TACR1 (0.55) TACR1MEN1KMT2A
SCHEMBL19002456 0.76 BLM (0.47) ALDH1A1POLBMEN1KMT2A
SCHEMBL27883950 0.75 RPS6KB1 (0.44) ALDH1A1POLB
SCHEMBL22032535 0.74 NOTUM (0.41) MEN1KMT2A
SCHEMBL15103260 0.73 RPS6KB1 (0.44) ALDH1A1POLB
SCHEMBL22032379 0.73 RPS6KB1 (0.44) ALDH1A1POLB
SCHEMBL2708207 0.73 RPS6KB1 (0.44) ALDH1A1POLB
SCHEMBL6408955 0.72 TACR1 (0.49) TACR1MEN1KMT2A
SCHEMBL4972856 0.71 POLB (0.46) ALDH1A1POLBMEN1KMT2A

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
EP-0823906-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-07-09 EP disclosed
US-5981520-A USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN SCHERING CORPORATION (US) 1999-11-09 US disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed