SCHEMBL5728524

SCHEMBL5728524

[CH2]C1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.49
KDM1A O60341 2/20 0.47
SLC6A4 P31645 4/20 0.47
HTR2C P28335 5/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1D P28221 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 2/20 0.43
CCR2 P41597 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
SCHEMBL5728531 0.81 TACR1 (0.49) TACR1KDM1ASLC6A4HTR2CHTR3E
SCHEMBL31322451 0.81 OPRL1 (0.56) TACR1KDM1AMAPT
SCHEMBL186127 0.81 OPRL1 (0.56) TACR1KDM1AMAPT
Hydrochloric Acid SCHEMBL4818869 0.79 OPRL1 (0.54) TACR1HTR2CMAPTTHRB
Hydrochloric Acid SCHEMBL23411250 0.78 OPRL1 (0.53) TACR1MAPT
SCHEMBL4814703 0.78 OPRL1 (0.53) TACR1KDM1ASLC6A4HTR2CHTR3E
SCHEMBL4814092 0.77 TACR1 (0.49) TACR1KDM1ASLC6A4HTR2CHTR3E
SCHEMBL12585395 0.77 SLC6A4 (0.74) TACR1KDM1ASLC6A4SLC6A3SLC6A2
SCHEMBL3135942 0.77 TACR1 (0.46) TACR1KDM1ASLC6A4HTR2CHTR3E
Hydrochloric Acid SCHEMBL3246216 0.76 TACR1 (0.48) TACR1KDM1ASLC6A4HTR2CHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed