SCHEMBL20796231

SCHEMBL20796231

CC[C@@H](C)C(C)NCCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.44
ADRB2 P07550 2/20 0.44
HIF1A Q16665 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
GALR3 O60755 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ADRB3 P13945 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3084431 0.80 TAAR1 (0.61) TAAR1L3MBTL1LMNAADRB2HPGD
SCHEMBL20796240 0.77 TAAR1 (0.53) TAAR1L3MBTL1LMNACYP2D6HPGD
SCHEMBL30666100 0.76 HTT (0.53) TAAR1L3MBTL1LMNAADRB2HIF1A
SCHEMBL25588044 0.76 HTT (0.53) TAAR1L3MBTL1LMNAADRB2HIF1A
SCHEMBL19080589 0.75 TAAR1 (0.55) TAAR1L3MBTL1HPGDSIGMAR1KMT2A
SCHEMBL16789643 0.71 ALDH1A1 (0.42) L3MBTL1LMNACYP2D6SIGMAR1KMT2A
SCHEMBL19505482 0.70 SIGMAR1 (0.81) ADRB2SLC6A2SLC6A4OPRM1ADRB1
SCHEMBL8442802 0.70 L3MBTL1 (0.67) TAAR1L3MBTL1LMNACYP2D6HPGD
SCHEMBL31008662 0.70 LMNA (0.38) LMNAADRA1A
SCHEMBL681435 0.69 TAAR1 (1.00) TAAR1L3MBTL1LMNAHIF1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019043642-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2019-03-07 WO disclosed